Showing NP-Card for Nosokomycin A (NP0009023)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2020-12-09 06:29:26 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:02:05 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0009023 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Nosokomycin A | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Nosokomycin A is found in Streptomyces. Nosokomycin A was first documented in 2010 (PMID: 20186168). Based on a literature review very few articles have been published on Nosokomycin A. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0009023 (Nosokomycin A)
Mrv1652307012120303D
205209 0 0 0 0 999 V2000
15.4838 2.9064 2.2935 C 0 0 0 0 0 0 0 0 0 0 0 0
15.1110 2.0836 1.2811 C 0 0 0 0 0 0 0 0 0 0 0 0
16.1449 1.6555 0.3429 C 0 0 2 0 0 0 0 0 0 0 0 0
16.3611 0.1918 0.4837 C 0 0 0 0 0 0 0 0 0 0 0 0
16.4422 -0.6689 -0.5139 C 0 0 0 0 0 0 0 0 0 0 0 0
16.3159 -0.1993 -1.9139 C 0 0 0 0 0 0 0 0 0 0 0 0
16.6650 -2.1350 -0.2195 C 0 0 2 0 0 0 0 0 0 0 0 0
17.9825 -2.6183 -0.8241 C 0 0 1 0 0 0 0 0 0 0 0 0
19.0876 -1.8028 -0.2305 C 0 0 0 0 0 0 0 0 0 0 0 0
19.9586 -1.1410 -0.9488 C 0 0 0 0 0 0 0 0 0 0 0 0
19.8847 -1.1771 -2.4310 C 0 0 0 0 0 0 0 0 0 0 0 0
21.0257 -0.3319 -0.3027 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6983 1.6750 1.2071 C 0 0 2 0 0 0 0 0 0 0 0 0
12.9280 2.2858 0.0731 C 0 0 1 0 0 0 0 0 0 0 0 0
11.4788 1.9015 0.1740 C 0 0 2 0 0 0 0 0 0 0 0 0
10.7084 2.5949 -0.9847 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9062 2.4158 1.4544 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2871 0.4077 -0.0139 C 0 0 2 0 0 0 0 0 0 0 0 0
9.8223 0.0662 0.1846 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0639 -0.4435 -0.7408 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6089 -0.7532 -0.4081 C 0 0 1 0 0 0 0 0 0 0 0 0
7.3977 -0.5228 1.0097 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1668 -1.4627 1.9523 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6053 0.3173 1.5826 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7067 1.2453 0.8799 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3708 1.0249 1.2422 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8361 -0.1787 0.8846 C 0 0 2 0 0 0 0 0 0 0 0 0
2.4564 -0.1202 0.3201 C 0 0 2 0 0 0 0 0 0 0 0 0
2.3327 0.6722 -0.7875 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7008 0.6851 -1.3254 P 0 0 2 0 0 5 0 0 0 0 0 0
0.6257 0.7333 -2.8259 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0446 2.1431 -0.7453 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1217 -0.6401 -0.7578 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4243 -0.7802 -1.1448 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4449 -1.9320 -1.9924 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7385 -2.9742 -1.4602 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.9706 -4.1524 -2.3405 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7957 -4.0967 -3.4945 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4268 -5.2443 -2.0688 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0498 -3.3633 -0.0521 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2432 -4.2639 0.0614 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0702 -4.0507 0.4452 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2982 -2.1360 0.8297 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.6691 -2.5279 2.1084 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7773 -2.2270 3.1576 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0834 -2.5998 4.4877 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3052 -1.6287 2.9391 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2360 -1.2604 0.0754 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8298 -0.2363 0.7660 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2087 -0.2898 0.5958 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.6674 0.8675 -0.0741 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7908 0.4679 -0.7995 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.2749 1.6671 -1.5908 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.8129 2.6824 -0.9424 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2478 3.4175 0.0411 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.9411 3.3576 1.2156 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7661 4.4147 2.0484 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.3171 4.1089 3.4541 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.6739 3.8459 3.4306 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4611 5.6483 1.5045 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.8758 6.8040 2.0822 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1788 5.7083 0.0388 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.3160 5.2536 -0.6347 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0055 4.8589 -0.3589 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.8625 5.3876 0.2198 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.8953 0.0325 0.1429 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.5771 -1.0490 -0.4356 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.8666 -0.6911 -0.7968 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.7565 -1.0206 0.2885 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.8544 -0.1707 0.0413 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.6548 0.1468 1.2609 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.6963 -0.7103 -1.1184 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.7955 0.0861 -1.2352 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.0281 -0.4723 -1.0148 C 0 0 2 0 0 0 0 0 0 0 0 0
-14.5715 -0.5934 -2.3390 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.8169 -1.1676 -2.2840 C 0 0 2 0 0 0 0 0 0 0 0 0
-16.2161 -1.6161 -3.6255 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.3056 -2.1881 -3.8771 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.3192 -1.3918 -4.6890 O 0 0 0 0 0 0 0 0 0 0 0 0
-16.7494 -0.0035 -1.8936 C 0 0 1 0 0 0 0 0 0 0 0 0
-18.0371 -0.5224 -1.9239 O 0 0 0 0 0 0 0 0 0 0 0 0
-16.3903 0.3087 -0.4762 C 0 0 2 0 0 0 0 0 0 0 0 0
-16.9532 1.5323 -0.0498 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.9503 0.2579 -0.1235 C 0 0 1 0 0 0 0 0 0 0 0 0
-14.8795 -0.2555 1.2005 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.7630 -0.5708 -2.3376 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.3411 -1.1429 -3.4601 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.4626 -1.3020 -1.9807 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.6125 -1.4896 -3.1242 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.5094 -2.8210 -3.6788 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6733 -3.1850 -4.8328 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1941 -3.7350 -3.1199 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4852 -0.3704 1.4901 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.2427 0.3303 2.4520 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0184 -0.3221 1.8563 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.7533 -1.3950 2.7584 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.5577 -1.1529 4.1294 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3026 -2.2722 5.0609 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6047 0.0167 4.5668 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7879 -1.0954 2.1159 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1540 -0.6453 3.1925 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3375 -2.3723 1.9457 O 0 0 0 0 0 0 0 0 0 0 0 0
16.5147 3.1941 2.3483 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8078 3.2753 3.0298 H 0 0 0 0 0 0 0 0 0 0 0 0
17.0997 2.2026 0.5013 H 0 0 0 0 0 0 0 0 0 0 0 0
15.7795 1.8911 -0.6988 H 0 0 0 0 0 0 0 0 0 0 0 0
16.4618 -0.2588 1.4948 H 0 0 0 0 0 0 0 0 0 0 0 0
16.9315 0.7354 -2.0273 H 0 0 0 0 0 0 0 0 0 0 0 0
16.7215 -1.0017 -2.5840 H 0 0 0 0 0 0 0 0 0 0 0 0
15.2618 -0.0111 -2.1452 H 0 0 0 0 0 0 0 0 0 0 0 0
15.8281 -2.6964 -0.6308 H 0 0 0 0 0 0 0 0 0 0 0 0
16.7006 -2.3021 0.8787 H 0 0 0 0 0 0 0 0 0 0 0 0
18.1572 -3.6733 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0
17.9124 -2.5162 -1.9251 H 0 0 0 0 0 0 0 0 0 0 0 0
19.1365 -1.7676 0.8732 H 0 0 0 0 0 0 0 0 0 0 0 0
20.8713 -0.8696 -2.8895 H 0 0 0 0 0 0 0 0 0 0 0 0
19.1277 -0.5255 -2.8604 H 0 0 0 0 0 0 0 0 0 0 0 0
19.7597 -2.2611 -2.7262 H 0 0 0 0 0 0 0 0 0 0 0 0
20.6157 0.1697 0.6022 H 0 0 0 0 0 0 0 0 0 0 0 0
21.8807 -0.9703 0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0
21.4415 0.4538 -0.9774 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1663 1.9262 2.1717 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6347 0.5449 1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0813 3.3786 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3340 1.8261 -0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3230 2.4442 -1.8839 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7168 3.6744 -0.7477 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7035 2.1921 -1.0572 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8344 2.7455 1.3064 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8460 1.6102 2.2326 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4858 3.2708 1.8695 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8918 -0.2010 0.6778 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5138 0.0995 -1.0518 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4493 0.3313 1.1957 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4543 -0.6611 -1.7454 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9242 -0.2940 -1.1176 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5506 -1.8667 -0.6303 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0082 -1.9360 1.4411 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4180 -2.3008 2.1013 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3743 -0.9847 2.9073 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5767 0.4028 2.7005 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9659 2.3132 1.0065 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7626 1.0524 -0.2065 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5149 -0.7262 0.2277 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6721 0.1717 1.0604 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2098 -1.1759 -0.0252 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6546 2.8616 -1.1011 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8906 0.0346 -1.6818 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3697 -2.7931 -1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8049 -3.8734 -3.4402 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3465 -4.2902 -4.4269 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4901 -4.3852 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9337 -5.2826 -0.2804 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1224 -3.8952 -0.4545 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2526 -4.6813 1.1369 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2948 -1.6174 0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1108 -1.8844 5.2393 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2746 -3.5834 4.7075 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0545 -1.8742 -0.3978 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4944 -1.1455 -0.0422 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5264 -0.3254 -1.4726 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3307 2.0422 -2.1087 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8781 1.3015 -2.4853 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2138 3.0115 0.2379 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6997 4.6165 2.2109 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0277 4.9615 4.0860 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7787 3.2106 3.7879 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0952 4.0843 4.2899 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5151 5.6827 1.7671 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4702 7.1392 2.8123 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0607 6.7714 -0.2857 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9779 5.9860 -0.7807 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9299 4.9531 -1.4804 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7543 6.3231 0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6429 0.9017 0.2378 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9118 0.4087 -0.7675 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4217 0.8170 -0.3109 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1144 -0.6961 1.7725 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9492 0.6594 1.9795 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.3822 0.9442 0.9617 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.8766 -1.7627 -0.8648 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.9927 -1.5521 -0.6935 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.9078 -1.9686 -1.5135 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.3075 -0.5498 -5.2301 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.5899 0.8179 -2.5901 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.5955 0.0404 -1.3242 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.9491 -0.4532 0.1563 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.2314 2.0295 0.4079 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.6005 1.3338 -0.0683 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.5220 -1.1782 1.1841 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5120 0.4873 -2.4294 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5868 -1.4635 -4.0176 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8559 -2.3338 -1.6736 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0688 -0.7511 -3.5859 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1414 -2.3054 -5.2255 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9041 -3.9467 -4.5705 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2656 -3.6203 -5.6651 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7870 -1.4553 1.6688 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9187 0.9180 2.0348 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9022 0.6538 2.4283 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6992 -2.3666 2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1785 -2.3665 5.7782 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1399 -3.2299 4.5285 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4630 -1.9734 5.7284 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7816 -2.8159 2.6692 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 3 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
2 13 1 0 0 0 0
13 14 1 0 0 0 0
15 14 1 1 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
15 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
30 29 1 6 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
30 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
37 39 2 0 0 0 0
36 40 1 0 0 0 0
40 41 1 0 0 0 0
40 42 1 1 0 0 0
40 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
45 47 2 0 0 0 0
43 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
57 60 1 0 0 0 0
60 61 1 0 0 0 0
60 62 1 0 0 0 0
62 63 1 0 0 0 0
62 64 1 0 0 0 0
64 65 1 0 0 0 0
52 66 1 0 0 0 0
66 67 1 0 0 0 0
67 68 1 0 0 0 0
68 69 1 0 0 0 0
69 70 1 0 0 0 0
70 71 1 0 0 0 0
70 72 1 0 0 0 0
72 73 1 0 0 0 0
73 74 1 0 0 0 0
74 75 1 0 0 0 0
75 76 1 0 0 0 0
76 77 1 0 0 0 0
77 78 2 0 0 0 0
77 79 1 0 0 0 0
76 80 1 0 0 0 0
80 81 1 0 0 0 0
80 82 1 0 0 0 0
82 83 1 0 0 0 0
82 84 1 0 0 0 0
84 85 1 0 0 0 0
72 86 1 0 0 0 0
86 87 1 0 0 0 0
86 88 1 0 0 0 0
88 89 1 0 0 0 0
89 90 1 0 0 0 0
90 91 1 0 0 0 0
90 92 2 0 0 0 0
66 93 1 0 0 0 0
93 94 1 0 0 0 0
93 95 1 0 0 0 0
95 96 1 0 0 0 0
96 97 1 0 0 0 0
97 98 1 0 0 0 0
97 99 2 0 0 0 0
27100 1 0 0 0 0
100101 2 0 0 0 0
100102 1 0 0 0 0
48 34 1 0 0 0 0
95 50 1 0 0 0 0
64 55 1 0 0 0 0
88 68 1 0 0 0 0
84 74 1 0 0 0 0
1103 1 0 0 0 0
1104 1 0 0 0 0
3105 1 0 0 0 0
3106 1 0 0 0 0
4107 1 0 0 0 0
6108 1 0 0 0 0
6109 1 0 0 0 0
6110 1 0 0 0 0
7111 1 0 0 0 0
7112 1 0 0 0 0
8113 1 0 0 0 0
8114 1 0 0 0 0
9115 1 0 0 0 0
11116 1 0 0 0 0
11117 1 0 0 0 0
11118 1 0 0 0 0
12119 1 0 0 0 0
12120 1 0 0 0 0
12121 1 0 0 0 0
13122 1 0 0 0 0
13123 1 0 0 0 0
14124 1 0 0 0 0
14125 1 0 0 0 0
16126 1 0 0 0 0
16127 1 0 0 0 0
16128 1 0 0 0 0
17129 1 0 0 0 0
17130 1 0 0 0 0
17131 1 0 0 0 0
18132 1 0 0 0 0
18133 1 0 0 0 0
19134 1 0 0 0 0
20135 1 0 0 0 0
21136 1 0 0 0 0
21137 1 0 0 0 0
23138 1 0 0 0 0
23139 1 0 0 0 0
23140 1 0 0 0 0
24141 1 0 0 0 0
25142 1 0 0 0 0
25143 1 0 0 0 0
27144 1 6 0 0 0
28145 1 0 0 0 0
28146 1 0 0 0 0
32147 1 0 0 0 0
34148 1 6 0 0 0
36149 1 1 0 0 0
38150 1 0 0 0 0
38151 1 0 0 0 0
41152 1 0 0 0 0
41153 1 0 0 0 0
41154 1 0 0 0 0
42155 1 0 0 0 0
43156 1 1 0 0 0
46157 1 0 0 0 0
46158 1 0 0 0 0
48159 1 6 0 0 0
50160 1 6 0 0 0
52161 1 6 0 0 0
53162 1 0 0 0 0
53163 1 0 0 0 0
55164 1 1 0 0 0
57165 1 1 0 0 0
58166 1 0 0 0 0
58167 1 0 0 0 0
59168 1 0 0 0 0
60169 1 6 0 0 0
61170 1 0 0 0 0
62171 1 6 0 0 0
63172 1 0 0 0 0
64173 1 6 0 0 0
65174 1 0 0 0 0
66175 1 1 0 0 0
68176 1 6 0 0 0
70177 1 6 0 0 0
71178 1 0 0 0 0
71179 1 0 0 0 0
71180 1 0 0 0 0
72181 1 1 0 0 0
74182 1 1 0 0 0
76183 1 1 0 0 0
79184 1 0 0 0 0
80185 1 6 0 0 0
81186 1 0 0 0 0
82187 1 1 0 0 0
83188 1 0 0 0 0
84189 1 1 0 0 0
85190 1 0 0 0 0
86191 1 6 0 0 0
87192 1 0 0 0 0
88193 1 1 0 0 0
89194 1 0 0 0 0
91195 1 0 0 0 0
91196 1 0 0 0 0
91197 1 0 0 0 0
93198 1 6 0 0 0
94199 1 0 0 0 0
95200 1 1 0 0 0
96201 1 0 0 0 0
98202 1 0 0 0 0
98203 1 0 0 0 0
98204 1 0 0 0 0
102205 1 0 0 0 0
M END
3D MOL for NP0009023 (Nosokomycin A)
RDKit 3D
205209 0 0 0 0 0 0 0 0999 V2000
15.4838 2.9064 2.2935 C 0 0 0 0 0 0 0 0 0 0 0 0
15.1110 2.0836 1.2811 C 0 0 0 0 0 0 0 0 0 0 0 0
16.1449 1.6555 0.3429 C 0 0 0 0 0 0 0 0 0 0 0 0
16.3611 0.1918 0.4837 C 0 0 0 0 0 0 0 0 0 0 0 0
16.4422 -0.6689 -0.5139 C 0 0 0 0 0 0 0 0 0 0 0 0
16.3159 -0.1993 -1.9139 C 0 0 0 0 0 0 0 0 0 0 0 0
16.6650 -2.1350 -0.2195 C 0 0 0 0 0 0 0 0 0 0 0 0
17.9825 -2.6183 -0.8241 C 0 0 0 0 0 0 0 0 0 0 0 0
19.0876 -1.8028 -0.2305 C 0 0 0 0 0 0 0 0 0 0 0 0
19.9586 -1.1410 -0.9488 C 0 0 0 0 0 0 0 0 0 0 0 0
19.8847 -1.1771 -2.4310 C 0 0 0 0 0 0 0 0 0 0 0 0
21.0257 -0.3319 -0.3027 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6983 1.6750 1.2071 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9280 2.2858 0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4788 1.9015 0.1740 C 0 0 2 0 0 0 0 0 0 0 0 0
10.7084 2.5949 -0.9847 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9062 2.4158 1.4544 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2871 0.4077 -0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8223 0.0662 0.1846 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0639 -0.4435 -0.7408 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6089 -0.7532 -0.4081 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3977 -0.5228 1.0097 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1668 -1.4627 1.9523 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6053 0.3173 1.5826 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7067 1.2453 0.8799 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3708 1.0249 1.2422 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8361 -0.1787 0.8846 C 0 0 2 0 0 0 0 0 0 0 0 0
2.4564 -0.1202 0.3201 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3327 0.6722 -0.7875 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7008 0.6851 -1.3254 P 0 0 2 0 0 5 0 0 0 0 0 0
0.6257 0.7333 -2.8259 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0446 2.1431 -0.7453 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1217 -0.6401 -0.7578 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4243 -0.7802 -1.1448 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4449 -1.9320 -1.9924 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7385 -2.9742 -1.4602 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.9706 -4.1524 -2.3405 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7957 -4.0967 -3.4945 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4268 -5.2443 -2.0688 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0498 -3.3633 -0.0521 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2432 -4.2639 0.0614 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0702 -4.0507 0.4452 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2982 -2.1360 0.8297 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.6691 -2.5279 2.1084 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7773 -2.2270 3.1576 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0834 -2.5998 4.4877 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3052 -1.6287 2.9391 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2360 -1.2604 0.0754 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8298 -0.2363 0.7660 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2087 -0.2898 0.5958 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.6674 0.8675 -0.0741 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7908 0.4679 -0.7995 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.2749 1.6671 -1.5908 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8129 2.6824 -0.9424 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2478 3.4175 0.0411 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.9411 3.3576 1.2156 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7661 4.4147 2.0484 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.3171 4.1089 3.4541 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6739 3.8459 3.4306 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4611 5.6483 1.5045 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.8758 6.8040 2.0822 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1788 5.7083 0.0388 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.3160 5.2536 -0.6347 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0055 4.8589 -0.3589 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.8625 5.3876 0.2198 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.8953 0.0325 0.1429 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.5771 -1.0490 -0.4356 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.8666 -0.6911 -0.7968 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.7565 -1.0206 0.2885 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.8544 -0.1707 0.0413 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.6548 0.1468 1.2609 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.6963 -0.7103 -1.1184 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.7955 0.0861 -1.2352 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.0281 -0.4723 -1.0148 C 0 0 2 0 0 0 0 0 0 0 0 0
-14.5715 -0.5934 -2.3390 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.8169 -1.1676 -2.2840 C 0 0 2 0 0 0 0 0 0 0 0 0
-16.2161 -1.6161 -3.6255 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.3056 -2.1881 -3.8771 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.3192 -1.3918 -4.6890 O 0 0 0 0 0 0 0 0 0 0 0 0
-16.7494 -0.0035 -1.8936 C 0 0 1 0 0 0 0 0 0 0 0 0
-18.0371 -0.5224 -1.9239 O 0 0 0 0 0 0 0 0 0 0 0 0
-16.3903 0.3087 -0.4762 C 0 0 2 0 0 0 0 0 0 0 0 0
-16.9532 1.5323 -0.0498 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.9503 0.2579 -0.1235 C 0 0 1 0 0 0 0 0 0 0 0 0
-14.8795 -0.2555 1.2005 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.7630 -0.5708 -2.3376 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.3411 -1.1429 -3.4601 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.4626 -1.3020 -1.9807 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.6125 -1.4896 -3.1242 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.5094 -2.8210 -3.6788 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6733 -3.1850 -4.8328 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1941 -3.7350 -3.1199 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4852 -0.3704 1.4901 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.2427 0.3303 2.4520 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0184 -0.3221 1.8563 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.7533 -1.3950 2.7584 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.5577 -1.1529 4.1294 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3026 -2.2722 5.0609 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6047 0.0167 4.5668 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7879 -1.0954 2.1159 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1540 -0.6453 3.1925 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3375 -2.3723 1.9457 O 0 0 0 0 0 0 0 0 0 0 0 0
16.5147 3.1941 2.3483 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8078 3.2753 3.0298 H 0 0 0 0 0 0 0 0 0 0 0 0
17.0997 2.2026 0.5013 H 0 0 0 0 0 0 0 0 0 0 0 0
15.7795 1.8911 -0.6988 H 0 0 0 0 0 0 0 0 0 0 0 0
16.4618 -0.2588 1.4948 H 0 0 0 0 0 0 0 0 0 0 0 0
16.9315 0.7354 -2.0273 H 0 0 0 0 0 0 0 0 0 0 0 0
16.7215 -1.0017 -2.5840 H 0 0 0 0 0 0 0 0 0 0 0 0
15.2618 -0.0111 -2.1452 H 0 0 0 0 0 0 0 0 0 0 0 0
15.8281 -2.6964 -0.6308 H 0 0 0 0 0 0 0 0 0 0 0 0
16.7006 -2.3021 0.8787 H 0 0 0 0 0 0 0 0 0 0 0 0
18.1572 -3.6733 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0
17.9124 -2.5162 -1.9251 H 0 0 0 0 0 0 0 0 0 0 0 0
19.1365 -1.7676 0.8732 H 0 0 0 0 0 0 0 0 0 0 0 0
20.8713 -0.8696 -2.8895 H 0 0 0 0 0 0 0 0 0 0 0 0
19.1277 -0.5255 -2.8604 H 0 0 0 0 0 0 0 0 0 0 0 0
19.7597 -2.2611 -2.7262 H 0 0 0 0 0 0 0 0 0 0 0 0
20.6157 0.1697 0.6022 H 0 0 0 0 0 0 0 0 0 0 0 0
21.8807 -0.9703 0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0
21.4415 0.4538 -0.9774 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1663 1.9262 2.1717 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6347 0.5449 1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0813 3.3786 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3340 1.8261 -0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3230 2.4442 -1.8839 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7168 3.6744 -0.7477 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7035 2.1921 -1.0572 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8344 2.7455 1.3064 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8460 1.6102 2.2326 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4858 3.2708 1.8695 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8918 -0.2010 0.6778 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5138 0.0995 -1.0518 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4493 0.3313 1.1957 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4543 -0.6611 -1.7454 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9242 -0.2940 -1.1176 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5506 -1.8667 -0.6303 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0082 -1.9360 1.4411 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4180 -2.3008 2.1013 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3743 -0.9847 2.9073 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5767 0.4028 2.7005 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9659 2.3132 1.0065 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7626 1.0524 -0.2065 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5149 -0.7262 0.2277 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6721 0.1717 1.0604 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2098 -1.1759 -0.0252 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6546 2.8616 -1.1011 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8906 0.0346 -1.6818 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3697 -2.7931 -1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8049 -3.8734 -3.4402 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3465 -4.2902 -4.4269 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4901 -4.3852 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9337 -5.2826 -0.2804 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1224 -3.8952 -0.4545 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2526 -4.6813 1.1369 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2948 -1.6174 0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1108 -1.8844 5.2393 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2746 -3.5834 4.7075 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0545 -1.8742 -0.3978 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4944 -1.1455 -0.0422 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5264 -0.3254 -1.4726 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3307 2.0422 -2.1087 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8781 1.3015 -2.4853 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2138 3.0115 0.2379 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6997 4.6165 2.2109 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0277 4.9615 4.0860 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7787 3.2106 3.7879 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0952 4.0843 4.2899 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5151 5.6827 1.7671 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4702 7.1392 2.8123 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0607 6.7714 -0.2857 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9779 5.9860 -0.7807 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9299 4.9531 -1.4804 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7543 6.3231 0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6429 0.9017 0.2378 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9118 0.4087 -0.7675 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4217 0.8170 -0.3109 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1144 -0.6961 1.7725 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9492 0.6594 1.9795 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.3822 0.9442 0.9617 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.8766 -1.7627 -0.8648 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.9927 -1.5521 -0.6935 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.9078 -1.9686 -1.5135 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.3075 -0.5498 -5.2301 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.5899 0.8179 -2.5901 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.5955 0.0404 -1.3242 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.9491 -0.4532 0.1563 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.2314 2.0295 0.4079 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.6005 1.3338 -0.0683 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.5220 -1.1782 1.1841 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5120 0.4873 -2.4294 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5868 -1.4635 -4.0176 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8559 -2.3338 -1.6736 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0688 -0.7511 -3.5859 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1414 -2.3054 -5.2255 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9041 -3.9467 -4.5705 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2656 -3.6203 -5.6651 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7870 -1.4553 1.6688 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9187 0.9180 2.0348 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9022 0.6538 2.4283 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6992 -2.3666 2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1785 -2.3665 5.7782 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1399 -3.2299 4.5285 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4630 -1.9734 5.7284 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7816 -2.8159 2.6692 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 2 0
5 6 1 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 2 3
10 11 1 0
10 12 1 0
2 13 1 0
13 14 1 0
15 14 1 1
15 16 1 0
15 17 1 0
15 18 1 0
18 19 1 0
19 20 2 0
20 21 1 0
21 22 1 0
22 23 1 0
22 24 2 0
24 25 1 0
25 26 1 0
26 27 1 0
27 28 1 0
28 29 1 0
30 29 1 6
30 31 2 0
30 32 1 0
30 33 1 0
33 34 1 0
34 35 1 0
35 36 1 0
36 37 1 0
37 38 1 0
37 39 2 0
36 40 1 0
40 41 1 0
40 42 1 1
40 43 1 0
43 44 1 0
44 45 1 0
45 46 1 0
45 47 2 0
43 48 1 0
48 49 1 0
49 50 1 0
50 51 1 0
51 52 1 0
52 53 1 0
53 54 1 0
54 55 1 0
55 56 1 0
56 57 1 0
57 58 1 0
58 59 1 0
57 60 1 0
60 61 1 0
60 62 1 0
62 63 1 0
62 64 1 0
64 65 1 0
52 66 1 0
66 67 1 0
67 68 1 0
68 69 1 0
69 70 1 0
70 71 1 0
70 72 1 0
72 73 1 0
73 74 1 0
74 75 1 0
75 76 1 0
76 77 1 0
77 78 2 0
77 79 1 0
76 80 1 0
80 81 1 0
80 82 1 0
82 83 1 0
82 84 1 0
84 85 1 0
72 86 1 0
86 87 1 0
86 88 1 0
88 89 1 0
89 90 1 0
90 91 1 0
90 92 2 0
66 93 1 0
93 94 1 0
93 95 1 0
95 96 1 0
96 97 1 0
97 98 1 0
97 99 2 0
27100 1 0
100101 2 0
100102 1 0
48 34 1 0
95 50 1 0
64 55 1 0
88 68 1 0
84 74 1 0
1103 1 0
1104 1 0
3105 1 0
3106 1 0
4107 1 0
6108 1 0
6109 1 0
6110 1 0
7111 1 0
7112 1 0
8113 1 0
8114 1 0
9115 1 0
11116 1 0
11117 1 0
11118 1 0
12119 1 0
12120 1 0
12121 1 0
13122 1 0
13123 1 0
14124 1 0
14125 1 0
16126 1 0
16127 1 0
16128 1 0
17129 1 0
17130 1 0
17131 1 0
18132 1 0
18133 1 0
19134 1 0
20135 1 0
21136 1 0
21137 1 0
23138 1 0
23139 1 0
23140 1 0
24141 1 0
25142 1 0
25143 1 0
27144 1 6
28145 1 0
28146 1 0
32147 1 0
34148 1 6
36149 1 1
38150 1 0
38151 1 0
41152 1 0
41153 1 0
41154 1 0
42155 1 0
43156 1 1
46157 1 0
46158 1 0
48159 1 6
50160 1 6
52161 1 6
53162 1 0
53163 1 0
55164 1 1
57165 1 1
58166 1 0
58167 1 0
59168 1 0
60169 1 6
61170 1 0
62171 1 6
63172 1 0
64173 1 6
65174 1 0
66175 1 1
68176 1 6
70177 1 6
71178 1 0
71179 1 0
71180 1 0
72181 1 1
74182 1 1
76183 1 1
79184 1 0
80185 1 6
81186 1 0
82187 1 1
83188 1 0
84189 1 1
85190 1 0
86191 1 6
87192 1 0
88193 1 1
89194 1 0
91195 1 0
91196 1 0
91197 1 0
93198 1 6
94199 1 0
95200 1 1
96201 1 0
98202 1 0
98203 1 0
98204 1 0
102205 1 0
M END
3D SDF for NP0009023 (Nosokomycin A)
Mrv1652307012120303D
205209 0 0 0 0 999 V2000
15.4838 2.9064 2.2935 C 0 0 0 0 0 0 0 0 0 0 0 0
15.1110 2.0836 1.2811 C 0 0 0 0 0 0 0 0 0 0 0 0
16.1449 1.6555 0.3429 C 0 0 2 0 0 0 0 0 0 0 0 0
16.3611 0.1918 0.4837 C 0 0 0 0 0 0 0 0 0 0 0 0
16.4422 -0.6689 -0.5139 C 0 0 0 0 0 0 0 0 0 0 0 0
16.3159 -0.1993 -1.9139 C 0 0 0 0 0 0 0 0 0 0 0 0
16.6650 -2.1350 -0.2195 C 0 0 2 0 0 0 0 0 0 0 0 0
17.9825 -2.6183 -0.8241 C 0 0 1 0 0 0 0 0 0 0 0 0
19.0876 -1.8028 -0.2305 C 0 0 0 0 0 0 0 0 0 0 0 0
19.9586 -1.1410 -0.9488 C 0 0 0 0 0 0 0 0 0 0 0 0
19.8847 -1.1771 -2.4310 C 0 0 0 0 0 0 0 0 0 0 0 0
21.0257 -0.3319 -0.3027 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6983 1.6750 1.2071 C 0 0 2 0 0 0 0 0 0 0 0 0
12.9280 2.2858 0.0731 C 0 0 1 0 0 0 0 0 0 0 0 0
11.4788 1.9015 0.1740 C 0 0 2 0 0 0 0 0 0 0 0 0
10.7084 2.5949 -0.9847 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9062 2.4158 1.4544 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2871 0.4077 -0.0139 C 0 0 2 0 0 0 0 0 0 0 0 0
9.8223 0.0662 0.1846 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0639 -0.4435 -0.7408 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6089 -0.7532 -0.4081 C 0 0 1 0 0 0 0 0 0 0 0 0
7.3977 -0.5228 1.0097 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1668 -1.4627 1.9523 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6053 0.3173 1.5826 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7067 1.2453 0.8799 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3708 1.0249 1.2422 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8361 -0.1787 0.8846 C 0 0 2 0 0 0 0 0 0 0 0 0
2.4564 -0.1202 0.3201 C 0 0 2 0 0 0 0 0 0 0 0 0
2.3327 0.6722 -0.7875 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7008 0.6851 -1.3254 P 0 0 2 0 0 5 0 0 0 0 0 0
0.6257 0.7333 -2.8259 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0446 2.1431 -0.7453 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1217 -0.6401 -0.7578 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4243 -0.7802 -1.1448 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4449 -1.9320 -1.9924 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7385 -2.9742 -1.4602 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.9706 -4.1524 -2.3405 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7957 -4.0967 -3.4945 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4268 -5.2443 -2.0688 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0498 -3.3633 -0.0521 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2432 -4.2639 0.0614 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0702 -4.0507 0.4452 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2982 -2.1360 0.8297 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.6691 -2.5279 2.1084 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7773 -2.2270 3.1576 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0834 -2.5998 4.4877 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3052 -1.6287 2.9391 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2360 -1.2604 0.0754 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8298 -0.2363 0.7660 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2087 -0.2898 0.5958 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.6674 0.8675 -0.0741 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7908 0.4679 -0.7995 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.2749 1.6671 -1.5908 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.8129 2.6824 -0.9424 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2478 3.4175 0.0411 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.9411 3.3576 1.2156 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7661 4.4147 2.0484 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.3171 4.1089 3.4541 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.6739 3.8459 3.4306 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4611 5.6483 1.5045 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.8758 6.8040 2.0822 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1788 5.7083 0.0388 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.3160 5.2536 -0.6347 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0055 4.8589 -0.3589 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.8625 5.3876 0.2198 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.8953 0.0325 0.1429 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.5771 -1.0490 -0.4356 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.8666 -0.6911 -0.7968 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.7565 -1.0206 0.2885 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.8544 -0.1707 0.0413 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.6548 0.1468 1.2609 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.6963 -0.7103 -1.1184 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.7955 0.0861 -1.2352 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.0281 -0.4723 -1.0148 C 0 0 2 0 0 0 0 0 0 0 0 0
-14.5715 -0.5934 -2.3390 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.8169 -1.1676 -2.2840 C 0 0 2 0 0 0 0 0 0 0 0 0
-16.2161 -1.6161 -3.6255 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.3056 -2.1881 -3.8771 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.3192 -1.3918 -4.6890 O 0 0 0 0 0 0 0 0 0 0 0 0
-16.7494 -0.0035 -1.8936 C 0 0 1 0 0 0 0 0 0 0 0 0
-18.0371 -0.5224 -1.9239 O 0 0 0 0 0 0 0 0 0 0 0 0
-16.3903 0.3087 -0.4762 C 0 0 2 0 0 0 0 0 0 0 0 0
-16.9532 1.5323 -0.0498 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.9503 0.2579 -0.1235 C 0 0 1 0 0 0 0 0 0 0 0 0
-14.8795 -0.2555 1.2005 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.7630 -0.5708 -2.3376 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.3411 -1.1429 -3.4601 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.4626 -1.3020 -1.9807 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.6125 -1.4896 -3.1242 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.5094 -2.8210 -3.6788 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6733 -3.1850 -4.8328 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1941 -3.7350 -3.1199 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4852 -0.3704 1.4901 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.2427 0.3303 2.4520 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0184 -0.3221 1.8563 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.7533 -1.3950 2.7584 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.5577 -1.1529 4.1294 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3026 -2.2722 5.0609 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6047 0.0167 4.5668 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7879 -1.0954 2.1159 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1540 -0.6453 3.1925 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3375 -2.3723 1.9457 O 0 0 0 0 0 0 0 0 0 0 0 0
16.5147 3.1941 2.3483 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8078 3.2753 3.0298 H 0 0 0 0 0 0 0 0 0 0 0 0
17.0997 2.2026 0.5013 H 0 0 0 0 0 0 0 0 0 0 0 0
15.7795 1.8911 -0.6988 H 0 0 0 0 0 0 0 0 0 0 0 0
16.4618 -0.2588 1.4948 H 0 0 0 0 0 0 0 0 0 0 0 0
16.9315 0.7354 -2.0273 H 0 0 0 0 0 0 0 0 0 0 0 0
16.7215 -1.0017 -2.5840 H 0 0 0 0 0 0 0 0 0 0 0 0
15.2618 -0.0111 -2.1452 H 0 0 0 0 0 0 0 0 0 0 0 0
15.8281 -2.6964 -0.6308 H 0 0 0 0 0 0 0 0 0 0 0 0
16.7006 -2.3021 0.8787 H 0 0 0 0 0 0 0 0 0 0 0 0
18.1572 -3.6733 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0
17.9124 -2.5162 -1.9251 H 0 0 0 0 0 0 0 0 0 0 0 0
19.1365 -1.7676 0.8732 H 0 0 0 0 0 0 0 0 0 0 0 0
20.8713 -0.8696 -2.8895 H 0 0 0 0 0 0 0 0 0 0 0 0
19.1277 -0.5255 -2.8604 H 0 0 0 0 0 0 0 0 0 0 0 0
19.7597 -2.2611 -2.7262 H 0 0 0 0 0 0 0 0 0 0 0 0
20.6157 0.1697 0.6022 H 0 0 0 0 0 0 0 0 0 0 0 0
21.8807 -0.9703 0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0
21.4415 0.4538 -0.9774 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1663 1.9262 2.1717 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6347 0.5449 1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0813 3.3786 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3340 1.8261 -0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3230 2.4442 -1.8839 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7168 3.6744 -0.7477 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7035 2.1921 -1.0572 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8344 2.7455 1.3064 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8460 1.6102 2.2326 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4858 3.2708 1.8695 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8918 -0.2010 0.6778 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5138 0.0995 -1.0518 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4493 0.3313 1.1957 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4543 -0.6611 -1.7454 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9242 -0.2940 -1.1176 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5506 -1.8667 -0.6303 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0082 -1.9360 1.4411 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4180 -2.3008 2.1013 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3743 -0.9847 2.9073 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5767 0.4028 2.7005 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9659 2.3132 1.0065 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7626 1.0524 -0.2065 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5149 -0.7262 0.2277 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6721 0.1717 1.0604 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2098 -1.1759 -0.0252 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6546 2.8616 -1.1011 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8906 0.0346 -1.6818 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3697 -2.7931 -1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8049 -3.8734 -3.4402 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3465 -4.2902 -4.4269 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4901 -4.3852 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9337 -5.2826 -0.2804 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1224 -3.8952 -0.4545 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2526 -4.6813 1.1369 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2948 -1.6174 0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1108 -1.8844 5.2393 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2746 -3.5834 4.7075 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0545 -1.8742 -0.3978 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4944 -1.1455 -0.0422 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5264 -0.3254 -1.4726 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3307 2.0422 -2.1087 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8781 1.3015 -2.4853 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2138 3.0115 0.2379 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6997 4.6165 2.2109 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0277 4.9615 4.0860 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7787 3.2106 3.7879 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0952 4.0843 4.2899 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5151 5.6827 1.7671 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4702 7.1392 2.8123 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0607 6.7714 -0.2857 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9779 5.9860 -0.7807 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9299 4.9531 -1.4804 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7543 6.3231 0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6429 0.9017 0.2378 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9118 0.4087 -0.7675 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4217 0.8170 -0.3109 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1144 -0.6961 1.7725 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9492 0.6594 1.9795 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.3822 0.9442 0.9617 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.8766 -1.7627 -0.8648 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.9927 -1.5521 -0.6935 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.9078 -1.9686 -1.5135 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.3075 -0.5498 -5.2301 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.5899 0.8179 -2.5901 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.5955 0.0404 -1.3242 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.9491 -0.4532 0.1563 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.2314 2.0295 0.4079 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.6005 1.3338 -0.0683 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.5220 -1.1782 1.1841 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5120 0.4873 -2.4294 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5868 -1.4635 -4.0176 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8559 -2.3338 -1.6736 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0688 -0.7511 -3.5859 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1414 -2.3054 -5.2255 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9041 -3.9467 -4.5705 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2656 -3.6203 -5.6651 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7870 -1.4553 1.6688 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9187 0.9180 2.0348 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9022 0.6538 2.4283 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6992 -2.3666 2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1785 -2.3665 5.7782 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1399 -3.2299 4.5285 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4630 -1.9734 5.7284 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7816 -2.8159 2.6692 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 3 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
2 13 1 0 0 0 0
13 14 1 0 0 0 0
15 14 1 1 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
15 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
30 29 1 6 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
30 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
37 39 2 0 0 0 0
36 40 1 0 0 0 0
40 41 1 0 0 0 0
40 42 1 1 0 0 0
40 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
45 47 2 0 0 0 0
43 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
57 60 1 0 0 0 0
60 61 1 0 0 0 0
60 62 1 0 0 0 0
62 63 1 0 0 0 0
62 64 1 0 0 0 0
64 65 1 0 0 0 0
52 66 1 0 0 0 0
66 67 1 0 0 0 0
67 68 1 0 0 0 0
68 69 1 0 0 0 0
69 70 1 0 0 0 0
70 71 1 0 0 0 0
70 72 1 0 0 0 0
72 73 1 0 0 0 0
73 74 1 0 0 0 0
74 75 1 0 0 0 0
75 76 1 0 0 0 0
76 77 1 0 0 0 0
77 78 2 0 0 0 0
77 79 1 0 0 0 0
76 80 1 0 0 0 0
80 81 1 0 0 0 0
80 82 1 0 0 0 0
82 83 1 0 0 0 0
82 84 1 0 0 0 0
84 85 1 0 0 0 0
72 86 1 0 0 0 0
86 87 1 0 0 0 0
86 88 1 0 0 0 0
88 89 1 0 0 0 0
89 90 1 0 0 0 0
90 91 1 0 0 0 0
90 92 2 0 0 0 0
66 93 1 0 0 0 0
93 94 1 0 0 0 0
93 95 1 0 0 0 0
95 96 1 0 0 0 0
96 97 1 0 0 0 0
97 98 1 0 0 0 0
97 99 2 0 0 0 0
27100 1 0 0 0 0
100101 2 0 0 0 0
100102 1 0 0 0 0
48 34 1 0 0 0 0
95 50 1 0 0 0 0
64 55 1 0 0 0 0
88 68 1 0 0 0 0
84 74 1 0 0 0 0
1103 1 0 0 0 0
1104 1 0 0 0 0
3105 1 0 0 0 0
3106 1 0 0 0 0
4107 1 0 0 0 0
6108 1 0 0 0 0
6109 1 0 0 0 0
6110 1 0 0 0 0
7111 1 0 0 0 0
7112 1 0 0 0 0
8113 1 0 0 0 0
8114 1 0 0 0 0
9115 1 0 0 0 0
11116 1 0 0 0 0
11117 1 0 0 0 0
11118 1 0 0 0 0
12119 1 0 0 0 0
12120 1 0 0 0 0
12121 1 0 0 0 0
13122 1 0 0 0 0
13123 1 0 0 0 0
14124 1 0 0 0 0
14125 1 0 0 0 0
16126 1 0 0 0 0
16127 1 0 0 0 0
16128 1 0 0 0 0
17129 1 0 0 0 0
17130 1 0 0 0 0
17131 1 0 0 0 0
18132 1 0 0 0 0
18133 1 0 0 0 0
19134 1 0 0 0 0
20135 1 0 0 0 0
21136 1 0 0 0 0
21137 1 0 0 0 0
23138 1 0 0 0 0
23139 1 0 0 0 0
23140 1 0 0 0 0
24141 1 0 0 0 0
25142 1 0 0 0 0
25143 1 0 0 0 0
27144 1 6 0 0 0
28145 1 0 0 0 0
28146 1 0 0 0 0
32147 1 0 0 0 0
34148 1 6 0 0 0
36149 1 1 0 0 0
38150 1 0 0 0 0
38151 1 0 0 0 0
41152 1 0 0 0 0
41153 1 0 0 0 0
41154 1 0 0 0 0
42155 1 0 0 0 0
43156 1 1 0 0 0
46157 1 0 0 0 0
46158 1 0 0 0 0
48159 1 6 0 0 0
50160 1 6 0 0 0
52161 1 6 0 0 0
53162 1 0 0 0 0
53163 1 0 0 0 0
55164 1 1 0 0 0
57165 1 1 0 0 0
58166 1 0 0 0 0
58167 1 0 0 0 0
59168 1 0 0 0 0
60169 1 6 0 0 0
61170 1 0 0 0 0
62171 1 6 0 0 0
63172 1 0 0 0 0
64173 1 6 0 0 0
65174 1 0 0 0 0
66175 1 1 0 0 0
68176 1 6 0 0 0
70177 1 6 0 0 0
71178 1 0 0 0 0
71179 1 0 0 0 0
71180 1 0 0 0 0
72181 1 1 0 0 0
74182 1 1 0 0 0
76183 1 1 0 0 0
79184 1 0 0 0 0
80185 1 6 0 0 0
81186 1 0 0 0 0
82187 1 1 0 0 0
83188 1 0 0 0 0
84189 1 1 0 0 0
85190 1 0 0 0 0
86191 1 6 0 0 0
87192 1 0 0 0 0
88193 1 1 0 0 0
89194 1 0 0 0 0
91195 1 0 0 0 0
91196 1 0 0 0 0
91197 1 0 0 0 0
93198 1 6 0 0 0
94199 1 0 0 0 0
95200 1 1 0 0 0
96201 1 0 0 0 0
98202 1 0 0 0 0
98203 1 0 0 0 0
98204 1 0 0 0 0
102205 1 0 0 0 0
M END
> <DATABASE_ID>
NP0009023
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC(=O)[C@]([H])(OC([H])([H])C(\[H])=C(\C([H])([H])[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C(=C([H])[H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[P@](=O)(O[H])O[C@@]1([H])O[C@]([H])(C(=O)N([H])[H])[C@](O[H])(C([H])([H])[H])[C@]([H])(OC(=O)N([H])[H])[C@@]1([H])O[C@]1([H])O[C@]([H])(C([H])([H])O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])[C@@]([H])(O[C@]2([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]3([H])O[C@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])[C@]([H])(O[H])[C@@]2([H])N([H])C(=O)C([H])([H])[H])[C@]([H])(O[H])[C@@]1([H])N([H])C(=O)C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C64H103N4O33P/c1-28(2)15-14-17-29(3)18-19-31(5)20-23-63(9,10)22-13-12-16-30(4)21-24-89-37(55(81)82)27-91-102(87,88)101-61-51(52(100-62(66)85)64(11,86)53(99-61)54(65)80)98-58-39(68-34(8)71)42(74)49(36(94-58)26-90-59-46(78)43(75)40(72)35(25-69)93-59)96-57-38(67-33(7)70)41(73)48(32(6)92-57)95-60-47(79)44(76)45(77)50(97-60)56(83)84/h12-13,15,18,21,32,35-53,57-61,69,72-79,86H,5,14,16-17,19-20,22-27H2,1-4,6-11H3,(H2,65,80)(H2,66,85)(H,67,70)(H,68,71)(H,81,82)(H,83,84)(H,87,88)/b13-12+,29-18+,30-21-/t32-,35-,36-,37-,38-,39-,40-,41-,42-,43+,44+,45+,46-,47-,48-,49-,50+,51-,52-,53-,57+,58+,59-,60-,61-,64+/m1/s1
> <INCHI_KEY>
AFBSECGAINOYAH-OQDLKAIYSA-N
> <FORMULA>
C64H103N4O33P
> <MOLECULAR_WEIGHT>
1487.497
> <EXACT_MASS>
1486.624218791
> <JCHEM_ACCEPTOR_COUNT>
30
> <JCHEM_ATOM_COUNT>
205
> <JCHEM_AVERAGE_POLARIZABILITY>
150.44054621519635
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
17
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2S,3S,4S,5R,6R)-6-{[(2R,3S,4R,5R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(2R,3R,4R,5S,6S)-6-carbamoyl-4-(carbamoyloxy)-2-({[(2R)-2-carboxy-2-{[(2Z,5E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,5,13,17-tetraen-1-yl]oxy}ethoxy](hydroxy)phosphoryl}oxy)-5-hydroxy-5-methyloxan-3-yl]oxy}-5-acetamido-4-hydroxy-2-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-3-yl]oxy}-5-acetamido-4-hydroxy-2-methyloxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
> <ALOGPS_LOGP>
1.16
> <JCHEM_LOGP>
-1.468747295333334
> <ALOGPS_LOGS>
-4.20
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
5
> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3
> <JCHEM_PKA>
3.128543000605409
> <JCHEM_PKA_STRONGEST_ACIDIC>
1.5738833978256608
> <JCHEM_PKA_STRONGEST_BASIC>
-3.9473494455784186
> <JCHEM_POLAR_SURFACE_AREA>
578.5700000000002
> <JCHEM_REFRACTIVITY>
345.88430000000005
> <JCHEM_ROTATABLE_BOND_COUNT>
37
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
9.49e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(2S,3S,4S,5R,6R)-6-{[(2R,3S,4R,5R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(2R,3R,4R,5S,6S)-6-carbamoyl-4-(carbamoyloxy)-2-{[(2R)-2-carboxy-2-{[(2Z,5E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,5,13,17-tetraen-1-yl]oxy}ethoxy(hydroxy)phosphoryl]oxy}-5-hydroxy-5-methyloxan-3-yl]oxy}-5-acetamido-4-hydroxy-2-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-3-yl]oxy}-5-acetamido-4-hydroxy-2-methyloxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0009023 (Nosokomycin A)
RDKit 3D
205209 0 0 0 0 0 0 0 0999 V2000
15.4838 2.9064 2.2935 C 0 0 0 0 0 0 0 0 0 0 0 0
15.1110 2.0836 1.2811 C 0 0 0 0 0 0 0 0 0 0 0 0
16.1449 1.6555 0.3429 C 0 0 0 0 0 0 0 0 0 0 0 0
16.3611 0.1918 0.4837 C 0 0 0 0 0 0 0 0 0 0 0 0
16.4422 -0.6689 -0.5139 C 0 0 0 0 0 0 0 0 0 0 0 0
16.3159 -0.1993 -1.9139 C 0 0 0 0 0 0 0 0 0 0 0 0
16.6650 -2.1350 -0.2195 C 0 0 0 0 0 0 0 0 0 0 0 0
17.9825 -2.6183 -0.8241 C 0 0 0 0 0 0 0 0 0 0 0 0
19.0876 -1.8028 -0.2305 C 0 0 0 0 0 0 0 0 0 0 0 0
19.9586 -1.1410 -0.9488 C 0 0 0 0 0 0 0 0 0 0 0 0
19.8847 -1.1771 -2.4310 C 0 0 0 0 0 0 0 0 0 0 0 0
21.0257 -0.3319 -0.3027 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6983 1.6750 1.2071 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9280 2.2858 0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4788 1.9015 0.1740 C 0 0 2 0 0 0 0 0 0 0 0 0
10.7084 2.5949 -0.9847 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9062 2.4158 1.4544 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2871 0.4077 -0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8223 0.0662 0.1846 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0639 -0.4435 -0.7408 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6089 -0.7532 -0.4081 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3977 -0.5228 1.0097 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1668 -1.4627 1.9523 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6053 0.3173 1.5826 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7067 1.2453 0.8799 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3708 1.0249 1.2422 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8361 -0.1787 0.8846 C 0 0 2 0 0 0 0 0 0 0 0 0
2.4564 -0.1202 0.3201 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3327 0.6722 -0.7875 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7008 0.6851 -1.3254 P 0 0 2 0 0 5 0 0 0 0 0 0
0.6257 0.7333 -2.8259 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0446 2.1431 -0.7453 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1217 -0.6401 -0.7578 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4243 -0.7802 -1.1448 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4449 -1.9320 -1.9924 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7385 -2.9742 -1.4602 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.9706 -4.1524 -2.3405 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7957 -4.0967 -3.4945 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4268 -5.2443 -2.0688 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0498 -3.3633 -0.0521 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2432 -4.2639 0.0614 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0702 -4.0507 0.4452 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2982 -2.1360 0.8297 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.6691 -2.5279 2.1084 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7773 -2.2270 3.1576 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0834 -2.5998 4.4877 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3052 -1.6287 2.9391 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2360 -1.2604 0.0754 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8298 -0.2363 0.7660 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2087 -0.2898 0.5958 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.6674 0.8675 -0.0741 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7908 0.4679 -0.7995 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.2749 1.6671 -1.5908 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8129 2.6824 -0.9424 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2478 3.4175 0.0411 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.9411 3.3576 1.2156 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7661 4.4147 2.0484 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.3171 4.1089 3.4541 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6739 3.8459 3.4306 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4611 5.6483 1.5045 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.8758 6.8040 2.0822 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1788 5.7083 0.0388 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.3160 5.2536 -0.6347 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0055 4.8589 -0.3589 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.8625 5.3876 0.2198 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.8953 0.0325 0.1429 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.5771 -1.0490 -0.4356 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.8666 -0.6911 -0.7968 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.7565 -1.0206 0.2885 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.8544 -0.1707 0.0413 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.6548 0.1468 1.2609 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.6963 -0.7103 -1.1184 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.7955 0.0861 -1.2352 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.0281 -0.4723 -1.0148 C 0 0 2 0 0 0 0 0 0 0 0 0
-14.5715 -0.5934 -2.3390 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.8169 -1.1676 -2.2840 C 0 0 2 0 0 0 0 0 0 0 0 0
-16.2161 -1.6161 -3.6255 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.3056 -2.1881 -3.8771 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.3192 -1.3918 -4.6890 O 0 0 0 0 0 0 0 0 0 0 0 0
-16.7494 -0.0035 -1.8936 C 0 0 1 0 0 0 0 0 0 0 0 0
-18.0371 -0.5224 -1.9239 O 0 0 0 0 0 0 0 0 0 0 0 0
-16.3903 0.3087 -0.4762 C 0 0 2 0 0 0 0 0 0 0 0 0
-16.9532 1.5323 -0.0498 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.9503 0.2579 -0.1235 C 0 0 1 0 0 0 0 0 0 0 0 0
-14.8795 -0.2555 1.2005 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.7630 -0.5708 -2.3376 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.3411 -1.1429 -3.4601 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.4626 -1.3020 -1.9807 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.6125 -1.4896 -3.1242 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.5094 -2.8210 -3.6788 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6733 -3.1850 -4.8328 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1941 -3.7350 -3.1199 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4852 -0.3704 1.4901 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.2427 0.3303 2.4520 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0184 -0.3221 1.8563 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.7533 -1.3950 2.7584 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.5577 -1.1529 4.1294 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3026 -2.2722 5.0609 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6047 0.0167 4.5668 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7879 -1.0954 2.1159 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1540 -0.6453 3.1925 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3375 -2.3723 1.9457 O 0 0 0 0 0 0 0 0 0 0 0 0
16.5147 3.1941 2.3483 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8078 3.2753 3.0298 H 0 0 0 0 0 0 0 0 0 0 0 0
17.0997 2.2026 0.5013 H 0 0 0 0 0 0 0 0 0 0 0 0
15.7795 1.8911 -0.6988 H 0 0 0 0 0 0 0 0 0 0 0 0
16.4618 -0.2588 1.4948 H 0 0 0 0 0 0 0 0 0 0 0 0
16.9315 0.7354 -2.0273 H 0 0 0 0 0 0 0 0 0 0 0 0
16.7215 -1.0017 -2.5840 H 0 0 0 0 0 0 0 0 0 0 0 0
15.2618 -0.0111 -2.1452 H 0 0 0 0 0 0 0 0 0 0 0 0
15.8281 -2.6964 -0.6308 H 0 0 0 0 0 0 0 0 0 0 0 0
16.7006 -2.3021 0.8787 H 0 0 0 0 0 0 0 0 0 0 0 0
18.1572 -3.6733 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0
17.9124 -2.5162 -1.9251 H 0 0 0 0 0 0 0 0 0 0 0 0
19.1365 -1.7676 0.8732 H 0 0 0 0 0 0 0 0 0 0 0 0
20.8713 -0.8696 -2.8895 H 0 0 0 0 0 0 0 0 0 0 0 0
19.1277 -0.5255 -2.8604 H 0 0 0 0 0 0 0 0 0 0 0 0
19.7597 -2.2611 -2.7262 H 0 0 0 0 0 0 0 0 0 0 0 0
20.6157 0.1697 0.6022 H 0 0 0 0 0 0 0 0 0 0 0 0
21.8807 -0.9703 0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0
21.4415 0.4538 -0.9774 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1663 1.9262 2.1717 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6347 0.5449 1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0813 3.3786 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3340 1.8261 -0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3230 2.4442 -1.8839 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7168 3.6744 -0.7477 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7035 2.1921 -1.0572 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8344 2.7455 1.3064 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8460 1.6102 2.2326 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4858 3.2708 1.8695 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8918 -0.2010 0.6778 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5138 0.0995 -1.0518 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4493 0.3313 1.1957 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4543 -0.6611 -1.7454 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9242 -0.2940 -1.1176 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5506 -1.8667 -0.6303 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0082 -1.9360 1.4411 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4180 -2.3008 2.1013 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3743 -0.9847 2.9073 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5767 0.4028 2.7005 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9659 2.3132 1.0065 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7626 1.0524 -0.2065 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5149 -0.7262 0.2277 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6721 0.1717 1.0604 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2098 -1.1759 -0.0252 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6546 2.8616 -1.1011 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8906 0.0346 -1.6818 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3697 -2.7931 -1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8049 -3.8734 -3.4402 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3465 -4.2902 -4.4269 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4901 -4.3852 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9337 -5.2826 -0.2804 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1224 -3.8952 -0.4545 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2526 -4.6813 1.1369 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2948 -1.6174 0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1108 -1.8844 5.2393 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2746 -3.5834 4.7075 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0545 -1.8742 -0.3978 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4944 -1.1455 -0.0422 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5264 -0.3254 -1.4726 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3307 2.0422 -2.1087 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8781 1.3015 -2.4853 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2138 3.0115 0.2379 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6997 4.6165 2.2109 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0277 4.9615 4.0860 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7787 3.2106 3.7879 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0952 4.0843 4.2899 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5151 5.6827 1.7671 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4702 7.1392 2.8123 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0607 6.7714 -0.2857 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9779 5.9860 -0.7807 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9299 4.9531 -1.4804 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7543 6.3231 0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6429 0.9017 0.2378 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9118 0.4087 -0.7675 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4217 0.8170 -0.3109 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1144 -0.6961 1.7725 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9492 0.6594 1.9795 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.3822 0.9442 0.9617 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.8766 -1.7627 -0.8648 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.9927 -1.5521 -0.6935 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.9078 -1.9686 -1.5135 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.3075 -0.5498 -5.2301 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.5899 0.8179 -2.5901 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.5955 0.0404 -1.3242 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.9491 -0.4532 0.1563 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.2314 2.0295 0.4079 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.6005 1.3338 -0.0683 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.5220 -1.1782 1.1841 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5120 0.4873 -2.4294 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5868 -1.4635 -4.0176 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8559 -2.3338 -1.6736 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0688 -0.7511 -3.5859 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1414 -2.3054 -5.2255 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9041 -3.9467 -4.5705 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2656 -3.6203 -5.6651 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7870 -1.4553 1.6688 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9187 0.9180 2.0348 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9022 0.6538 2.4283 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6992 -2.3666 2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1785 -2.3665 5.7782 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1399 -3.2299 4.5285 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4630 -1.9734 5.7284 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7816 -2.8159 2.6692 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 2 0
5 6 1 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 2 3
10 11 1 0
10 12 1 0
2 13 1 0
13 14 1 0
15 14 1 1
15 16 1 0
15 17 1 0
15 18 1 0
18 19 1 0
19 20 2 0
20 21 1 0
21 22 1 0
22 23 1 0
22 24 2 0
24 25 1 0
25 26 1 0
26 27 1 0
27 28 1 0
28 29 1 0
30 29 1 6
30 31 2 0
30 32 1 0
30 33 1 0
33 34 1 0
34 35 1 0
35 36 1 0
36 37 1 0
37 38 1 0
37 39 2 0
36 40 1 0
40 41 1 0
40 42 1 1
40 43 1 0
43 44 1 0
44 45 1 0
45 46 1 0
45 47 2 0
43 48 1 0
48 49 1 0
49 50 1 0
50 51 1 0
51 52 1 0
52 53 1 0
53 54 1 0
54 55 1 0
55 56 1 0
56 57 1 0
57 58 1 0
58 59 1 0
57 60 1 0
60 61 1 0
60 62 1 0
62 63 1 0
62 64 1 0
64 65 1 0
52 66 1 0
66 67 1 0
67 68 1 0
68 69 1 0
69 70 1 0
70 71 1 0
70 72 1 0
72 73 1 0
73 74 1 0
74 75 1 0
75 76 1 0
76 77 1 0
77 78 2 0
77 79 1 0
76 80 1 0
80 81 1 0
80 82 1 0
82 83 1 0
82 84 1 0
84 85 1 0
72 86 1 0
86 87 1 0
86 88 1 0
88 89 1 0
89 90 1 0
90 91 1 0
90 92 2 0
66 93 1 0
93 94 1 0
93 95 1 0
95 96 1 0
96 97 1 0
97 98 1 0
97 99 2 0
27100 1 0
100101 2 0
100102 1 0
48 34 1 0
95 50 1 0
64 55 1 0
88 68 1 0
84 74 1 0
1103 1 0
1104 1 0
3105 1 0
3106 1 0
4107 1 0
6108 1 0
6109 1 0
6110 1 0
7111 1 0
7112 1 0
8113 1 0
8114 1 0
9115 1 0
11116 1 0
11117 1 0
11118 1 0
12119 1 0
12120 1 0
12121 1 0
13122 1 0
13123 1 0
14124 1 0
14125 1 0
16126 1 0
16127 1 0
16128 1 0
17129 1 0
17130 1 0
17131 1 0
18132 1 0
18133 1 0
19134 1 0
20135 1 0
21136 1 0
21137 1 0
23138 1 0
23139 1 0
23140 1 0
24141 1 0
25142 1 0
25143 1 0
27144 1 6
28145 1 0
28146 1 0
32147 1 0
34148 1 6
36149 1 1
38150 1 0
38151 1 0
41152 1 0
41153 1 0
41154 1 0
42155 1 0
43156 1 1
46157 1 0
46158 1 0
48159 1 6
50160 1 6
52161 1 6
53162 1 0
53163 1 0
55164 1 1
57165 1 1
58166 1 0
58167 1 0
59168 1 0
60169 1 6
61170 1 0
62171 1 6
63172 1 0
64173 1 6
65174 1 0
66175 1 1
68176 1 6
70177 1 6
71178 1 0
71179 1 0
71180 1 0
72181 1 1
74182 1 1
76183 1 1
79184 1 0
80185 1 6
81186 1 0
82187 1 1
83188 1 0
84189 1 1
85190 1 0
86191 1 6
87192 1 0
88193 1 1
89194 1 0
91195 1 0
91196 1 0
91197 1 0
93198 1 6
94199 1 0
95200 1 1
96201 1 0
98202 1 0
98203 1 0
98204 1 0
102205 1 0
M END
PDB for NP0009023 (Nosokomycin A)HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 15.484 2.906 2.293 0.00 0.00 C+0 HETATM 2 C UNK 0 15.111 2.084 1.281 0.00 0.00 C+0 HETATM 3 C UNK 0 16.145 1.656 0.343 0.00 0.00 C+0 HETATM 4 C UNK 0 16.361 0.192 0.484 0.00 0.00 C+0 HETATM 5 C UNK 0 16.442 -0.669 -0.514 0.00 0.00 C+0 HETATM 6 C UNK 0 16.316 -0.199 -1.914 0.00 0.00 C+0 HETATM 7 C UNK 0 16.665 -2.135 -0.220 0.00 0.00 C+0 HETATM 8 C UNK 0 17.983 -2.618 -0.824 0.00 0.00 C+0 HETATM 9 C UNK 0 19.088 -1.803 -0.231 0.00 0.00 C+0 HETATM 10 C UNK 0 19.959 -1.141 -0.949 0.00 0.00 C+0 HETATM 11 C UNK 0 19.885 -1.177 -2.431 0.00 0.00 C+0 HETATM 12 C UNK 0 21.026 -0.332 -0.303 0.00 0.00 C+0 HETATM 13 C UNK 0 13.698 1.675 1.207 0.00 0.00 C+0 HETATM 14 C UNK 0 12.928 2.286 0.073 0.00 0.00 C+0 HETATM 15 C UNK 0 11.479 1.902 0.174 0.00 0.00 C+0 HETATM 16 C UNK 0 10.708 2.595 -0.985 0.00 0.00 C+0 HETATM 17 C UNK 0 10.906 2.416 1.454 0.00 0.00 C+0 HETATM 18 C UNK 0 11.287 0.408 -0.014 0.00 0.00 C+0 HETATM 19 C UNK 0 9.822 0.066 0.185 0.00 0.00 C+0 HETATM 20 C UNK 0 9.064 -0.444 -0.741 0.00 0.00 C+0 HETATM 21 C UNK 0 7.609 -0.753 -0.408 0.00 0.00 C+0 HETATM 22 C UNK 0 7.398 -0.523 1.010 0.00 0.00 C+0 HETATM 23 C UNK 0 8.167 -1.463 1.952 0.00 0.00 C+0 HETATM 24 C UNK 0 6.605 0.317 1.583 0.00 0.00 C+0 HETATM 25 C UNK 0 5.707 1.245 0.880 0.00 0.00 C+0 HETATM 26 O UNK 0 4.371 1.025 1.242 0.00 0.00 O+0 HETATM 27 C UNK 0 3.836 -0.179 0.885 0.00 0.00 C+0 HETATM 28 C UNK 0 2.456 -0.120 0.320 0.00 0.00 C+0 HETATM 29 O UNK 0 2.333 0.672 -0.788 0.00 0.00 O+0 HETATM 30 P UNK 0 0.701 0.685 -1.325 0.00 0.00 P+0 HETATM 31 O UNK 0 0.626 0.733 -2.826 0.00 0.00 O+0 HETATM 32 O UNK 0 0.045 2.143 -0.745 0.00 0.00 O+0 HETATM 33 O UNK 0 -0.122 -0.640 -0.758 0.00 0.00 O+0 HETATM 34 C UNK 0 -1.424 -0.780 -1.145 0.00 0.00 C+0 HETATM 35 O UNK 0 -1.445 -1.932 -1.992 0.00 0.00 O+0 HETATM 36 C UNK 0 -0.739 -2.974 -1.460 0.00 0.00 C+0 HETATM 37 C UNK 0 -0.971 -4.152 -2.341 0.00 0.00 C+0 HETATM 38 N UNK 0 -1.796 -4.097 -3.494 0.00 0.00 N+0 HETATM 39 O UNK 0 -0.427 -5.244 -2.069 0.00 0.00 O+0 HETATM 40 C UNK 0 -1.050 -3.363 -0.052 0.00 0.00 C+0 HETATM 41 C UNK 0 -2.243 -4.264 0.061 0.00 0.00 C+0 HETATM 42 O UNK 0 0.070 -4.051 0.445 0.00 0.00 O+0 HETATM 43 C UNK 0 -1.298 -2.136 0.830 0.00 0.00 C+0 HETATM 44 O UNK 0 -1.669 -2.528 2.108 0.00 0.00 O+0 HETATM 45 C UNK 0 -0.777 -2.227 3.158 0.00 0.00 C+0 HETATM 46 N UNK 0 -1.083 -2.600 4.488 0.00 0.00 N+0 HETATM 47 O UNK 0 0.305 -1.629 2.939 0.00 0.00 O+0 HETATM 48 C UNK 0 -2.236 -1.260 0.075 0.00 0.00 C+0 HETATM 49 O UNK 0 -2.830 -0.236 0.766 0.00 0.00 O+0 HETATM 50 C UNK 0 -4.209 -0.290 0.596 0.00 0.00 C+0 HETATM 51 O UNK 0 -4.667 0.868 -0.074 0.00 0.00 O+0 HETATM 52 C UNK 0 -5.791 0.468 -0.800 0.00 0.00 C+0 HETATM 53 C UNK 0 -6.275 1.667 -1.591 0.00 0.00 C+0 HETATM 54 O UNK 0 -6.813 2.682 -0.942 0.00 0.00 O+0 HETATM 55 C UNK 0 -6.248 3.418 0.041 0.00 0.00 C+0 HETATM 56 O UNK 0 -6.941 3.358 1.216 0.00 0.00 O+0 HETATM 57 C UNK 0 -6.766 4.415 2.048 0.00 0.00 C+0 HETATM 58 C UNK 0 -7.317 4.109 3.454 0.00 0.00 C+0 HETATM 59 O UNK 0 -8.674 3.846 3.431 0.00 0.00 O+0 HETATM 60 C UNK 0 -7.461 5.648 1.504 0.00 0.00 C+0 HETATM 61 O UNK 0 -6.876 6.804 2.082 0.00 0.00 O+0 HETATM 62 C UNK 0 -7.179 5.708 0.039 0.00 0.00 C+0 HETATM 63 O UNK 0 -8.316 5.254 -0.635 0.00 0.00 O+0 HETATM 64 C UNK 0 -6.005 4.859 -0.359 0.00 0.00 C+0 HETATM 65 O UNK 0 -4.862 5.388 0.220 0.00 0.00 O+0 HETATM 66 C UNK 0 -6.895 0.033 0.143 0.00 0.00 C+0 HETATM 67 O UNK 0 -7.577 -1.049 -0.436 0.00 0.00 O+0 HETATM 68 C UNK 0 -8.867 -0.691 -0.797 0.00 0.00 C+0 HETATM 69 O UNK 0 -9.757 -1.021 0.289 0.00 0.00 O+0 HETATM 70 C UNK 0 -10.854 -0.171 0.041 0.00 0.00 C+0 HETATM 71 C UNK 0 -11.655 0.147 1.261 0.00 0.00 C+0 HETATM 72 C UNK 0 -11.696 -0.710 -1.118 0.00 0.00 C+0 HETATM 73 O UNK 0 -12.796 0.086 -1.235 0.00 0.00 O+0 HETATM 74 C UNK 0 -14.028 -0.472 -1.015 0.00 0.00 C+0 HETATM 75 O UNK 0 -14.572 -0.593 -2.339 0.00 0.00 O+0 HETATM 76 C UNK 0 -15.817 -1.168 -2.284 0.00 0.00 C+0 HETATM 77 C UNK 0 -16.216 -1.616 -3.626 0.00 0.00 C+0 HETATM 78 O UNK 0 -17.306 -2.188 -3.877 0.00 0.00 O+0 HETATM 79 O UNK 0 -15.319 -1.392 -4.689 0.00 0.00 O+0 HETATM 80 C UNK 0 -16.749 -0.004 -1.894 0.00 0.00 C+0 HETATM 81 O UNK 0 -18.037 -0.522 -1.924 0.00 0.00 O+0 HETATM 82 C UNK 0 -16.390 0.309 -0.476 0.00 0.00 C+0 HETATM 83 O UNK 0 -16.953 1.532 -0.050 0.00 0.00 O+0 HETATM 84 C UNK 0 -14.950 0.258 -0.124 0.00 0.00 C+0 HETATM 85 O UNK 0 -14.880 -0.256 1.200 0.00 0.00 O+0 HETATM 86 C UNK 0 -10.763 -0.571 -2.338 0.00 0.00 C+0 HETATM 87 O UNK 0 -11.341 -1.143 -3.460 0.00 0.00 O+0 HETATM 88 C UNK 0 -9.463 -1.302 -1.981 0.00 0.00 C+0 HETATM 89 N UNK 0 -8.613 -1.490 -3.124 0.00 0.00 N+0 HETATM 90 C UNK 0 -8.509 -2.821 -3.679 0.00 0.00 C+0 HETATM 91 C UNK 0 -7.673 -3.185 -4.833 0.00 0.00 C+0 HETATM 92 O UNK 0 -9.194 -3.735 -3.120 0.00 0.00 O+0 HETATM 93 C UNK 0 -6.485 -0.370 1.490 0.00 0.00 C+0 HETATM 94 O UNK 0 -7.243 0.330 2.452 0.00 0.00 O+0 HETATM 95 C UNK 0 -5.018 -0.322 1.856 0.00 0.00 C+0 HETATM 96 N UNK 0 -4.753 -1.395 2.758 0.00 0.00 N+0 HETATM 97 C UNK 0 -4.558 -1.153 4.129 0.00 0.00 C+0 HETATM 98 C UNK 0 -4.303 -2.272 5.061 0.00 0.00 C+0 HETATM 99 O UNK 0 -4.605 0.017 4.567 0.00 0.00 O+0 HETATM 100 C UNK 0 3.788 -1.095 2.116 0.00 0.00 C+0 HETATM 101 O UNK 0 4.154 -0.645 3.192 0.00 0.00 O+0 HETATM 102 O UNK 0 3.337 -2.372 1.946 0.00 0.00 O+0 HETATM 103 H UNK 0 16.515 3.194 2.348 0.00 0.00 H+0 HETATM 104 H UNK 0 14.808 3.275 3.030 0.00 0.00 H+0 HETATM 105 H UNK 0 17.100 2.203 0.501 0.00 0.00 H+0 HETATM 106 H UNK 0 15.780 1.891 -0.699 0.00 0.00 H+0 HETATM 107 H UNK 0 16.462 -0.259 1.495 0.00 0.00 H+0 HETATM 108 H UNK 0 16.931 0.735 -2.027 0.00 0.00 H+0 HETATM 109 H UNK 0 16.721 -1.002 -2.584 0.00 0.00 H+0 HETATM 110 H UNK 0 15.262 -0.011 -2.145 0.00 0.00 H+0 HETATM 111 H UNK 0 15.828 -2.696 -0.631 0.00 0.00 H+0 HETATM 112 H UNK 0 16.701 -2.302 0.879 0.00 0.00 H+0 HETATM 113 H UNK 0 18.157 -3.673 -0.554 0.00 0.00 H+0 HETATM 114 H UNK 0 17.912 -2.516 -1.925 0.00 0.00 H+0 HETATM 115 H UNK 0 19.137 -1.768 0.873 0.00 0.00 H+0 HETATM 116 H UNK 0 20.871 -0.870 -2.890 0.00 0.00 H+0 HETATM 117 H UNK 0 19.128 -0.526 -2.860 0.00 0.00 H+0 HETATM 118 H UNK 0 19.760 -2.261 -2.726 0.00 0.00 H+0 HETATM 119 H UNK 0 20.616 0.170 0.602 0.00 0.00 H+0 HETATM 120 H UNK 0 21.881 -0.970 0.004 0.00 0.00 H+0 HETATM 121 H UNK 0 21.442 0.454 -0.977 0.00 0.00 H+0 HETATM 122 H UNK 0 13.166 1.926 2.172 0.00 0.00 H+0 HETATM 123 H UNK 0 13.635 0.545 1.168 0.00 0.00 H+0 HETATM 124 H UNK 0 13.081 3.379 0.032 0.00 0.00 H+0 HETATM 125 H UNK 0 13.334 1.826 -0.874 0.00 0.00 H+0 HETATM 126 H UNK 0 11.323 2.444 -1.884 0.00 0.00 H+0 HETATM 127 H UNK 0 10.717 3.674 -0.748 0.00 0.00 H+0 HETATM 128 H UNK 0 9.704 2.192 -1.057 0.00 0.00 H+0 HETATM 129 H UNK 0 9.834 2.745 1.306 0.00 0.00 H+0 HETATM 130 H UNK 0 10.846 1.610 2.233 0.00 0.00 H+0 HETATM 131 H UNK 0 11.486 3.271 1.869 0.00 0.00 H+0 HETATM 132 H UNK 0 11.892 -0.201 0.678 0.00 0.00 H+0 HETATM 133 H UNK 0 11.514 0.100 -1.052 0.00 0.00 H+0 HETATM 134 H UNK 0 9.449 0.331 1.196 0.00 0.00 H+0 HETATM 135 H UNK 0 9.454 -0.661 -1.745 0.00 0.00 H+0 HETATM 136 H UNK 0 6.924 -0.294 -1.118 0.00 0.00 H+0 HETATM 137 H UNK 0 7.551 -1.867 -0.630 0.00 0.00 H+0 HETATM 138 H UNK 0 9.008 -1.936 1.441 0.00 0.00 H+0 HETATM 139 H UNK 0 7.418 -2.301 2.101 0.00 0.00 H+0 HETATM 140 H UNK 0 8.374 -0.985 2.907 0.00 0.00 H+0 HETATM 141 H UNK 0 6.577 0.403 2.700 0.00 0.00 H+0 HETATM 142 H UNK 0 5.966 2.313 1.006 0.00 0.00 H+0 HETATM 143 H UNK 0 5.763 1.052 -0.207 0.00 0.00 H+0 HETATM 144 H UNK 0 4.515 -0.726 0.228 0.00 0.00 H+0 HETATM 145 H UNK 0 1.672 0.172 1.060 0.00 0.00 H+0 HETATM 146 H UNK 0 2.210 -1.176 -0.025 0.00 0.00 H+0 HETATM 147 H UNK 0 0.655 2.862 -1.101 0.00 0.00 H+0 HETATM 148 H UNK 0 -1.891 0.035 -1.682 0.00 0.00 H+0 HETATM 149 H UNK 0 0.370 -2.793 -1.511 0.00 0.00 H+0 HETATM 150 H UNK 0 -2.805 -3.873 -3.440 0.00 0.00 H+0 HETATM 151 H UNK 0 -1.347 -4.290 -4.427 0.00 0.00 H+0 HETATM 152 H UNK 0 -2.490 -4.385 1.155 0.00 0.00 H+0 HETATM 153 H UNK 0 -1.934 -5.283 -0.280 0.00 0.00 H+0 HETATM 154 H UNK 0 -3.122 -3.895 -0.455 0.00 0.00 H+0 HETATM 155 H UNK 0 -0.253 -4.681 1.137 0.00 0.00 H+0 HETATM 156 H UNK 0 -0.295 -1.617 0.847 0.00 0.00 H+0 HETATM 157 H UNK 0 -1.111 -1.884 5.239 0.00 0.00 H+0 HETATM 158 H UNK 0 -1.275 -3.583 4.707 0.00 0.00 H+0 HETATM 159 H UNK 0 -3.054 -1.874 -0.398 0.00 0.00 H+0 HETATM 160 H UNK 0 -4.494 -1.145 -0.042 0.00 0.00 H+0 HETATM 161 H UNK 0 -5.526 -0.325 -1.473 0.00 0.00 H+0 HETATM 162 H UNK 0 -5.331 2.042 -2.109 0.00 0.00 H+0 HETATM 163 H UNK 0 -6.878 1.302 -2.485 0.00 0.00 H+0 HETATM 164 H UNK 0 -5.214 3.011 0.238 0.00 0.00 H+0 HETATM 165 H UNK 0 -5.700 4.617 2.211 0.00 0.00 H+0 HETATM 166 H UNK 0 -7.028 4.962 4.086 0.00 0.00 H+0 HETATM 167 H UNK 0 -6.779 3.211 3.788 0.00 0.00 H+0 HETATM 168 H UNK 0 -9.095 4.084 4.290 0.00 0.00 H+0 HETATM 169 H UNK 0 -8.515 5.683 1.767 0.00 0.00 H+0 HETATM 170 H UNK 0 -7.470 7.139 2.812 0.00 0.00 H+0 HETATM 171 H UNK 0 -7.061 6.771 -0.286 0.00 0.00 H+0 HETATM 172 H UNK 0 -8.978 5.986 -0.781 0.00 0.00 H+0 HETATM 173 H UNK 0 -5.930 4.953 -1.480 0.00 0.00 H+0 HETATM 174 H UNK 0 -4.754 6.323 0.002 0.00 0.00 H+0 HETATM 175 H UNK 0 -7.643 0.902 0.238 0.00 0.00 H+0 HETATM 176 H UNK 0 -8.912 0.409 -0.768 0.00 0.00 H+0 HETATM 177 H UNK 0 -10.422 0.817 -0.311 0.00 0.00 H+0 HETATM 178 H UNK 0 -12.114 -0.696 1.773 0.00 0.00 H+0 HETATM 179 H UNK 0 -10.949 0.659 1.980 0.00 0.00 H+0 HETATM 180 H UNK 0 -12.382 0.944 0.962 0.00 0.00 H+0 HETATM 181 H UNK 0 -11.877 -1.763 -0.865 0.00 0.00 H+0 HETATM 182 H UNK 0 -13.993 -1.552 -0.694 0.00 0.00 H+0 HETATM 183 H UNK 0 -15.908 -1.969 -1.514 0.00 0.00 H+0 HETATM 184 H UNK 0 -15.307 -0.550 -5.230 0.00 0.00 H+0 HETATM 185 H UNK 0 -16.590 0.818 -2.590 0.00 0.00 H+0 HETATM 186 H UNK 0 -18.596 0.040 -1.324 0.00 0.00 H+0 HETATM 187 H UNK 0 -16.949 -0.453 0.156 0.00 0.00 H+0 HETATM 188 H UNK 0 -16.231 2.030 0.408 0.00 0.00 H+0 HETATM 189 H UNK 0 -14.601 1.334 -0.068 0.00 0.00 H+0 HETATM 190 H UNK 0 -14.522 -1.178 1.184 0.00 0.00 H+0 HETATM 191 H UNK 0 -10.512 0.487 -2.429 0.00 0.00 H+0 HETATM 192 H UNK 0 -10.587 -1.464 -4.018 0.00 0.00 H+0 HETATM 193 H UNK 0 -9.856 -2.334 -1.674 0.00 0.00 H+0 HETATM 194 H UNK 0 -8.069 -0.751 -3.586 0.00 0.00 H+0 HETATM 195 H UNK 0 -7.141 -2.305 -5.226 0.00 0.00 H+0 HETATM 196 H UNK 0 -6.904 -3.947 -4.571 0.00 0.00 H+0 HETATM 197 H UNK 0 -8.266 -3.620 -5.665 0.00 0.00 H+0 HETATM 198 H UNK 0 -6.787 -1.455 1.669 0.00 0.00 H+0 HETATM 199 H UNK 0 -7.919 0.918 2.035 0.00 0.00 H+0 HETATM 200 H UNK 0 -4.902 0.654 2.428 0.00 0.00 H+0 HETATM 201 H UNK 0 -4.699 -2.367 2.387 0.00 0.00 H+0 HETATM 202 H UNK 0 -5.178 -2.366 5.778 0.00 0.00 H+0 HETATM 203 H UNK 0 -4.140 -3.230 4.529 0.00 0.00 H+0 HETATM 204 H UNK 0 -3.463 -1.973 5.728 0.00 0.00 H+0 HETATM 205 H UNK 0 2.782 -2.816 2.669 0.00 0.00 H+0 CONECT 1 2 103 104 CONECT 2 1 3 13 CONECT 3 2 4 105 106 CONECT 4 3 5 107 CONECT 5 4 6 7 CONECT 6 5 108 109 110 CONECT 7 5 8 111 112 CONECT 8 7 9 113 114 CONECT 9 8 10 115 CONECT 10 9 11 12 CONECT 11 10 116 117 118 CONECT 12 10 119 120 121 CONECT 13 2 14 122 123 CONECT 14 13 15 124 125 CONECT 15 14 16 17 18 CONECT 16 15 126 127 128 CONECT 17 15 129 130 131 CONECT 18 15 19 132 133 CONECT 19 18 20 134 CONECT 20 19 21 135 CONECT 21 20 22 136 137 CONECT 22 21 23 24 CONECT 23 22 138 139 140 CONECT 24 22 25 141 CONECT 25 24 26 142 143 CONECT 26 25 27 CONECT 27 26 28 100 144 CONECT 28 27 29 145 146 CONECT 29 28 30 CONECT 30 29 31 32 33 CONECT 31 30 CONECT 32 30 147 CONECT 33 30 34 CONECT 34 33 35 48 148 CONECT 35 34 36 CONECT 36 35 37 40 149 CONECT 37 36 38 39 CONECT 38 37 150 151 CONECT 39 37 CONECT 40 36 41 42 43 CONECT 41 40 152 153 154 CONECT 42 40 155 CONECT 43 40 44 48 156 CONECT 44 43 45 CONECT 45 44 46 47 CONECT 46 45 157 158 CONECT 47 45 CONECT 48 43 49 34 159 CONECT 49 48 50 CONECT 50 49 51 95 160 CONECT 51 50 52 CONECT 52 51 53 66 161 CONECT 53 52 54 162 163 CONECT 54 53 55 CONECT 55 54 56 64 164 CONECT 56 55 57 CONECT 57 56 58 60 165 CONECT 58 57 59 166 167 CONECT 59 58 168 CONECT 60 57 61 62 169 CONECT 61 60 170 CONECT 62 60 63 64 171 CONECT 63 62 172 CONECT 64 62 65 55 173 CONECT 65 64 174 CONECT 66 52 67 93 175 CONECT 67 66 68 CONECT 68 67 69 88 176 CONECT 69 68 70 CONECT 70 69 71 72 177 CONECT 71 70 178 179 180 CONECT 72 70 73 86 181 CONECT 73 72 74 CONECT 74 73 75 84 182 CONECT 75 74 76 CONECT 76 75 77 80 183 CONECT 77 76 78 79 CONECT 78 77 CONECT 79 77 184 CONECT 80 76 81 82 185 CONECT 81 80 186 CONECT 82 80 83 84 187 CONECT 83 82 188 CONECT 84 82 85 74 189 CONECT 85 84 190 CONECT 86 72 87 88 191 CONECT 87 86 192 CONECT 88 86 89 68 193 CONECT 89 88 90 194 CONECT 90 89 91 92 CONECT 91 90 195 196 197 CONECT 92 90 CONECT 93 66 94 95 198 CONECT 94 93 199 CONECT 95 93 96 50 200 CONECT 96 95 97 201 CONECT 97 96 98 99 CONECT 98 97 202 203 204 CONECT 99 97 CONECT 100 27 101 102 CONECT 101 100 CONECT 102 100 205 CONECT 103 1 CONECT 104 1 CONECT 105 3 CONECT 106 3 CONECT 107 4 CONECT 108 6 CONECT 109 6 CONECT 110 6 CONECT 111 7 CONECT 112 7 CONECT 113 8 CONECT 114 8 CONECT 115 9 CONECT 116 11 CONECT 117 11 CONECT 118 11 CONECT 119 12 CONECT 120 12 CONECT 121 12 CONECT 122 13 CONECT 123 13 CONECT 124 14 CONECT 125 14 CONECT 126 16 CONECT 127 16 CONECT 128 16 CONECT 129 17 CONECT 130 17 CONECT 131 17 CONECT 132 18 CONECT 133 18 CONECT 134 19 CONECT 135 20 CONECT 136 21 CONECT 137 21 CONECT 138 23 CONECT 139 23 CONECT 140 23 CONECT 141 24 CONECT 142 25 CONECT 143 25 CONECT 144 27 CONECT 145 28 CONECT 146 28 CONECT 147 32 CONECT 148 34 CONECT 149 36 CONECT 150 38 CONECT 151 38 CONECT 152 41 CONECT 153 41 CONECT 154 41 CONECT 155 42 CONECT 156 43 CONECT 157 46 CONECT 158 46 CONECT 159 48 CONECT 160 50 CONECT 161 52 CONECT 162 53 CONECT 163 53 CONECT 164 55 CONECT 165 57 CONECT 166 58 CONECT 167 58 CONECT 168 59 CONECT 169 60 CONECT 170 61 CONECT 171 62 CONECT 172 63 CONECT 173 64 CONECT 174 65 CONECT 175 66 CONECT 176 68 CONECT 177 70 CONECT 178 71 CONECT 179 71 CONECT 180 71 CONECT 181 72 CONECT 182 74 CONECT 183 76 CONECT 184 79 CONECT 185 80 CONECT 186 81 CONECT 187 82 CONECT 188 83 CONECT 189 84 CONECT 190 85 CONECT 191 86 CONECT 192 87 CONECT 193 88 CONECT 194 89 CONECT 195 91 CONECT 196 91 CONECT 197 91 CONECT 198 93 CONECT 199 94 CONECT 200 95 CONECT 201 96 CONECT 202 98 CONECT 203 98 CONECT 204 98 CONECT 205 102 MASTER 0 0 0 0 0 0 0 0 205 0 418 0 END SMILES for NP0009023 (Nosokomycin A)[H]OC(=O)[C@]([H])(OC([H])([H])C(\[H])=C(\C([H])([H])[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C(=C([H])[H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[P@](=O)(O[H])O[C@@]1([H])O[C@]([H])(C(=O)N([H])[H])[C@](O[H])(C([H])([H])[H])[C@]([H])(OC(=O)N([H])[H])[C@@]1([H])O[C@]1([H])O[C@]([H])(C([H])([H])O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])[C@@]([H])(O[C@]2([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]3([H])O[C@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])[C@]([H])(O[H])[C@@]2([H])N([H])C(=O)C([H])([H])[H])[C@]([H])(O[H])[C@@]1([H])N([H])C(=O)C([H])([H])[H] INCHI for NP0009023 (Nosokomycin A)InChI=1S/C64H103N4O33P/c1-28(2)15-14-17-29(3)18-19-31(5)20-23-63(9,10)22-13-12-16-30(4)21-24-89-37(55(81)82)27-91-102(87,88)101-61-51(52(100-62(66)85)64(11,86)53(99-61)54(65)80)98-58-39(68-34(8)71)42(74)49(36(94-58)26-90-59-46(78)43(75)40(72)35(25-69)93-59)96-57-38(67-33(7)70)41(73)48(32(6)92-57)95-60-47(79)44(76)45(77)50(97-60)56(83)84/h12-13,15,18,21,32,35-53,57-61,69,72-79,86H,5,14,16-17,19-20,22-27H2,1-4,6-11H3,(H2,65,80)(H2,66,85)(H,67,70)(H,68,71)(H,81,82)(H,83,84)(H,87,88)/b13-12+,29-18+,30-21-/t32-,35-,36-,37-,38-,39-,40-,41-,42-,43+,44+,45+,46-,47-,48-,49-,50+,51-,52-,53-,57+,58+,59-,60-,61-,64+/m1/s1 3D Structure for NP0009023 (Nosokomycin A) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C64H103N4O33P | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1487.4970 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1486.62422 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2S,3S,4S,5R,6R)-6-{[(2R,3S,4R,5R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(2R,3R,4R,5S,6S)-6-carbamoyl-4-(carbamoyloxy)-2-({[(2R)-2-carboxy-2-{[(2Z,5E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,5,13,17-tetraen-1-yl]oxy}ethoxy](hydroxy)phosphoryl}oxy)-5-hydroxy-5-methyloxan-3-yl]oxy}-5-acetamido-4-hydroxy-2-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-3-yl]oxy}-5-acetamido-4-hydroxy-2-methyloxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (2S,3S,4S,5R,6R)-6-{[(2R,3S,4R,5R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(2R,3R,4R,5S,6S)-6-carbamoyl-4-(carbamoyloxy)-2-{[(2R)-2-carboxy-2-{[(2Z,5E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,5,13,17-tetraen-1-yl]oxy}ethoxy(hydroxy)phosphoryl]oxy}-5-hydroxy-5-methyloxan-3-yl]oxy}-5-acetamido-4-hydroxy-2-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-3-yl]oxy}-5-acetamido-4-hydroxy-2-methyloxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | C[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]3[C@@H](OP(O)(=O)OC[C@@H](OC\C=C(\C)C\C=C\CC(C)(C)CCC(=C)C\C=C(/C)CCC=C(C)C)C(O)=O)O[C@H](C(N)=O)[C@@](C)(O)[C@@H]3OC(N)=O)O[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C64H103N4O33P/c1-28(2)15-14-17-29(3)18-19-31(5)20-23-63(9,10)22-13-12-16-30(4)21-24-89-37(55(81)82)27-91-102(87,88)101-61-51(52(100-62(66)85)64(11,86)53(99-61)54(65)80)98-58-39(68-34(8)71)42(74)49(36(94-58)26-90-59-46(78)43(75)40(72)35(25-69)93-59)96-57-38(67-33(7)70)41(73)48(32(6)92-57)95-60-47(79)44(76)45(77)50(97-60)56(83)84/h12-13,15,18,21,32,35-53,57-61,69,72-79,86H,5,14,16-17,19-20,22-27H2,1-4,6-11H3,(H2,65,80)(H2,66,85)(H,67,70)(H,68,71)(H,81,82)(H,83,84)(H,87,88)/b13-12+,29-18+,30-21-/t32-,35-,36-,37-,38-,39-,40-,41-,42-,43+,44+,45+,46-,47-,48-,49-,50+,51-,52-,53-,57+,58+,59-,60-,61-,64+/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | AFBSECGAINOYAH-OQDLKAIYSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA010682 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 102041020 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
