Showing NP-Card for Cichofactin A (NP0011497)
| Record Information | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 2.0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-05 21:09:58 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:09:06 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0011497 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Cichofactin A | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Cichofactin A is found in Pseudomonas cichorii. Cichofactin A was first documented in 2013 (PMID: 23405865). Based on a literature review very few articles have been published on (2S)-2-{[(2S)-2-{[(2S)-2-{[(2S)-2-{[(2S)-2-{[(2S)-2-{[(2S)-2-{[(2S)-2-[(1,3-dihydroxydecylidene)amino]-1-hydroxy-4-methylpentylidene]amino}-1-hydroxy-4-methylpentylidene]amino}-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-1-hydroxy-4-methylpentylidene]amino}-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-1-hydroxy-3-methylbutylidene]amino}-1-hydroxy-4-methylpentylidene]amino}-4-methylpentanoic acid. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0011497 (Cichofactin A)
Mrv1652307012121543D
178177 0 0 0 0 999 V2000
15.2792 3.3555 3.1238 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1441 4.1485 2.5147 C 0 0 2 0 0 0 0 0 0 0 0 0
14.6526 5.0542 1.4319 C 0 0 1 0 0 0 0 0 0 0 0 0
13.5617 5.8657 0.7624 C 0 0 2 0 0 0 0 0 0 0 0 0
12.5187 4.9344 0.1552 C 0 0 2 0 0 0 0 0 0 0 0 0
13.2227 4.0613 -0.8218 C 0 0 2 0 0 0 0 0 0 0 0 0
12.3652 3.0424 -1.5076 C 0 0 1 0 0 0 0 0 0 0 0 0
11.2520 3.5679 -2.3456 C 0 0 2 0 0 0 0 0 0 0 0 0
10.3275 4.3307 -1.6606 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5809 2.4754 -3.1473 C 0 0 2 0 0 0 0 0 0 0 0 0
9.9718 1.4136 -2.3154 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7945 1.7264 -1.0915 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6115 0.1587 -2.8138 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0064 -0.9042 -2.1117 C 0 0 1 0 0 0 0 0 0 0 0 0
9.8276 -1.9715 -1.5711 C 0 0 2 0 0 0 0 0 0 0 0 0
10.8902 -1.7358 -0.5808 C 0 0 2 0 0 0 0 0 0 0 0 0
10.5307 -1.1476 0.7312 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1247 -1.0324 -1.1308 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8015 -0.4863 -1.2783 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5148 0.7324 -1.3243 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0752 -1.3794 -0.5360 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9186 -1.2463 0.3207 C 0 0 1 0 0 0 0 0 0 0 0 0
5.8487 0.2018 0.8512 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1013 0.4311 1.6476 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1799 1.8421 2.2017 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1167 -0.5578 2.8347 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7202 -1.6793 -0.3818 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8294 -1.8653 -1.6465 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4440 -1.9299 0.1730 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3490 -2.3877 -0.7285 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5886 -3.8041 -1.0597 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7257 -4.4559 -2.0773 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8558 -3.8037 -3.4203 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9939 -4.1922 -4.4640 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7164 -2.9322 -3.6082 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0825 -2.0412 -0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9292 -0.8379 0.3001 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1055 -2.9872 0.2468 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1889 -2.9223 0.8682 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.9990 -3.3247 2.3013 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1186 -3.3554 3.2444 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.2708 -4.2356 2.9238 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5941 -2.0334 3.7836 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9141 -1.6866 0.6144 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5140 -0.5147 0.6713 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3035 -1.8289 0.2342 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.2561 -0.8263 -0.0530 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.7628 -0.6436 -1.4125 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.8688 -0.3646 -2.5464 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8681 -1.3585 -2.9320 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9734 -1.1165 -4.0326 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7448 -2.4367 -2.3505 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4806 -1.2376 0.8179 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0742 -1.7655 1.8758 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7682 -1.0263 0.4083 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.0511 -1.3558 0.9802 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.1509 -0.6326 0.3622 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7806 0.3294 -0.4501 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.5062 -0.8570 0.5321 N 0 0 0 0 0 0 0 0 0 0 0 0
-11.4741 -0.0231 -0.2012 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.5522 -0.9062 -0.7796 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.0051 -1.9590 -1.7262 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.2131 -2.7705 -2.2111 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.4140 -1.3163 -2.9579 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.0502 0.9971 0.7072 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.6530 1.1424 1.8775 O 0 0 0 0 0 0 0 0 0 0 0 0
-13.1011 1.8724 0.2697 N 0 0 0 0 0 0 0 0 0 0 0 0
-13.6512 2.8577 1.1465 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.4607 4.2658 0.7549 C 0 0 1 0 0 0 0 0 0 0 0 0
-14.0335 4.7290 -0.5335 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.7152 6.2367 -0.7065 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.4952 4.0709 -1.7724 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.0921 2.5178 1.3733 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.5906 1.5033 0.8238 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.8774 3.2998 2.1745 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.1437 -1.4726 2.4489 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.3581 -2.6702 2.9964 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4700 -1.5105 3.1154 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8830 3.9278 3.8266 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8364 2.4456 3.6138 H 0 0 0 0 0 0 0 0 0 0 0 0
15.9110 2.9485 2.2787 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6921 4.7514 3.3315 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4068 3.4141 2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0
15.2841 5.8283 1.9745 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3371 4.5709 0.7172 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0298 6.4187 -0.0723 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1185 6.5089 1.5446 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7683 5.6096 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0550 4.3435 0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9766 3.4583 -0.2244 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8055 4.6706 -1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0449 2.4626 -2.1777 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9489 2.3979 -0.7025 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7377 4.2434 -3.1162 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1707 3.9495 -0.7722 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2719 2.1240 -3.9136 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7400 2.9976 -3.6906 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8412 0.0166 -3.8522 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3766 -1.4430 -2.9602 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3632 -2.5001 -2.4430 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1991 -2.8269 -1.1830 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2807 -2.7841 -0.3212 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4180 -1.3423 1.4097 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3696 -0.0832 0.7918 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7175 -1.7488 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9502 -0.6550 -2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9557 -1.7588 -1.2428 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4997 -0.2661 -0.4221 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4133 -2.4110 -0.5923 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0581 -1.8088 1.2922 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9715 0.2262 1.5534 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7120 0.9288 0.0504 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0206 0.2139 1.1001 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9005 2.5663 1.4384 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2613 2.0302 2.4741 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5737 1.8745 3.1227 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0963 -0.7653 3.1792 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5915 -1.5122 2.5365 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7881 -0.1249 3.6155 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2040 -1.8160 1.1708 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5168 -1.7814 -1.6523 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6536 -3.8920 -1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5354 -4.4391 -0.1231 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6894 -4.6699 -1.8579 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1833 -5.4954 -2.2605 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9383 -5.1713 -4.8649 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3623 -3.4819 -4.8884 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3770 -4.0178 0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7943 -3.7255 0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1267 -2.7195 2.7195 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5414 -4.3739 2.2866 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6809 -3.8524 4.2214 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1255 -5.2458 3.4072 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4499 -4.4284 1.8595 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1900 -3.8328 3.4442 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0015 -1.7232 4.6667 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6446 -1.2238 3.0348 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6495 -2.1752 4.1585 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6363 -2.8141 0.1698 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9310 0.1358 0.3703 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4721 -1.4584 -1.7084 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4426 0.2955 -1.3869 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5391 -0.2341 -3.4532 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4044 0.6746 -2.4907 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9693 -1.1076 -3.8515 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3875 -0.9601 -4.9543 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9199 -0.5155 -0.5573 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1432 -2.5066 0.6364 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9031 -1.5940 1.1185 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9181 0.4946 -1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.1352 -1.3660 0.0419 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.2642 -0.2800 -1.3753 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.2629 -2.6013 -1.2281 H 0 0 0 0 0 0 0 0 0 0 0 0
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-13.8497 -3.0317 -1.3588 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.8682 -3.6558 -2.7764 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3715 -1.0122 -2.7439 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4017 -2.0284 -3.8230 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9831 -0.3805 -3.2160 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4748 1.7722 -0.6883 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.0947 2.7342 2.1364 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.8286 4.9364 1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.3453 4.4582 0.6972 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.1498 4.6737 -0.5607 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.7886 6.3169 -1.2989 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.5397 6.7074 -1.2785 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.5839 6.7025 0.2764 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4937 3.6640 -1.6178 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.3703 4.8572 -2.5730 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.2137 3.3401 -2.2214 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.5104 3.6549 3.0425 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6144 -0.5308 2.8701 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1361 -3.3710 3.4958 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9209 -3.3038 2.2353 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6747 -2.3908 3.7982 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2556 -1.5258 4.2688 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0923 -0.6294 3.0161 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9789 -2.4974 2.9728 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
16 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
22 27 1 0 0 0 0
27 28 2 0 0 0 0
27 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
33 35 2 0 0 0 0
30 36 1 0 0 0 0
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36 38 1 0 0 0 0
38 39 1 0 0 0 0
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40 41 1 0 0 0 0
41 42 1 0 0 0 0
41 43 1 0 0 0 0
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44 45 2 0 0 0 0
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53 54 2 0 0 0 0
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56 57 1 0 0 0 0
57 58 2 0 0 0 0
57 59 1 0 0 0 0
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61 62 1 0 0 0 0
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65 66 2 0 0 0 0
65 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
68 73 1 0 0 0 0
73 74 2 0 0 0 0
73 75 1 0 0 0 0
56 76 1 0 0 0 0
76 77 1 0 0 0 0
76 78 1 0 0 0 0
1 79 1 0 0 0 0
1 80 1 0 0 0 0
1 81 1 0 0 0 0
2 82 1 0 0 0 0
2 83 1 0 0 0 0
3 84 1 0 0 0 0
3 85 1 0 0 0 0
4 86 1 0 0 0 0
4 87 1 0 0 0 0
5 88 1 0 0 0 0
5 89 1 0 0 0 0
6 90 1 0 0 0 0
6 91 1 0 0 0 0
7 92 1 0 0 0 0
7 93 1 0 0 0 0
8 94 1 6 0 0 0
9 95 1 0 0 0 0
10 96 1 0 0 0 0
10 97 1 0 0 0 0
13 98 1 0 0 0 0
14 99 1 6 0 0 0
15100 1 0 0 0 0
15101 1 0 0 0 0
16102 1 1 0 0 0
17103 1 0 0 0 0
17104 1 0 0 0 0
17105 1 0 0 0 0
18106 1 0 0 0 0
18107 1 0 0 0 0
18108 1 0 0 0 0
21109 1 0 0 0 0
22110 1 1 0 0 0
23111 1 0 0 0 0
23112 1 0 0 0 0
24113 1 6 0 0 0
25114 1 0 0 0 0
25115 1 0 0 0 0
25116 1 0 0 0 0
26117 1 0 0 0 0
26118 1 0 0 0 0
26119 1 0 0 0 0
29120 1 0 0 0 0
30121 1 6 0 0 0
31122 1 0 0 0 0
31123 1 0 0 0 0
32124 1 0 0 0 0
32125 1 0 0 0 0
34126 1 0 0 0 0
34127 1 0 0 0 0
38128 1 0 0 0 0
39129 1 6 0 0 0
40130 1 0 0 0 0
40131 1 0 0 0 0
41132 1 1 0 0 0
42133 1 0 0 0 0
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42135 1 0 0 0 0
43136 1 0 0 0 0
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43138 1 0 0 0 0
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47140 1 1 0 0 0
48141 1 0 0 0 0
48142 1 0 0 0 0
49143 1 0 0 0 0
49144 1 0 0 0 0
51145 1 0 0 0 0
51146 1 0 0 0 0
55147 1 0 0 0 0
56148 1 6 0 0 0
59149 1 0 0 0 0
60150 1 6 0 0 0
61151 1 0 0 0 0
61152 1 0 0 0 0
62153 1 1 0 0 0
63154 1 0 0 0 0
63155 1 0 0 0 0
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78176 1 0 0 0 0
78177 1 0 0 0 0
78178 1 0 0 0 0
M END
3D MOL for NP0011497 (Cichofactin A)
RDKit 3D
178177 0 0 0 0 0 0 0 0999 V2000
15.2792 3.3555 3.1238 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1441 4.1485 2.5147 C 0 0 0 0 0 0 0 0 0 0 0 0
14.6526 5.0542 1.4319 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5617 5.8657 0.7624 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5187 4.9344 0.1552 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2227 4.0613 -0.8218 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3652 3.0424 -1.5076 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2520 3.5679 -2.3456 C 0 0 2 0 0 0 0 0 0 0 0 0
10.3275 4.3307 -1.6606 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5809 2.4754 -3.1473 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9718 1.4136 -2.3154 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7945 1.7264 -1.0915 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6115 0.1587 -2.8138 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0064 -0.9042 -2.1117 C 0 0 1 0 0 0 0 0 0 0 0 0
9.8276 -1.9715 -1.5711 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8902 -1.7358 -0.5808 C 0 0 2 0 0 0 0 0 0 0 0 0
10.5307 -1.1476 0.7312 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1247 -1.0324 -1.1308 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8015 -0.4863 -1.2783 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5148 0.7324 -1.3243 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0752 -1.3794 -0.5360 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9186 -1.2463 0.3207 C 0 0 1 0 0 0 0 0 0 0 0 0
5.8487 0.2018 0.8512 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1013 0.4311 1.6476 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1799 1.8421 2.2017 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1167 -0.5578 2.8347 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7202 -1.6793 -0.3818 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8294 -1.8653 -1.6465 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4440 -1.9299 0.1730 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3490 -2.3877 -0.7285 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5886 -3.8041 -1.0597 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7257 -4.4559 -2.0773 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8558 -3.8037 -3.4203 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9939 -4.1922 -4.4640 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7164 -2.9322 -3.6082 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0825 -2.0412 -0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9292 -0.8379 0.3001 O 0 0 0 0 0 0 0 0 0 0 0 0
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-8.7806 0.3294 -0.4501 O 0 0 0 0 0 0 0 0 0 0 0 0
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-11.4741 -0.0231 -0.2012 C 0 0 1 0 0 0 0 0 0 0 0 0
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-12.0502 0.9971 0.7072 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.6530 1.1424 1.8775 O 0 0 0 0 0 0 0 0 0 0 0 0
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-13.6512 2.8577 1.1465 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.4607 4.2658 0.7549 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.0335 4.7290 -0.5335 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.7152 6.2367 -0.7065 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.4952 4.0709 -1.7724 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.0921 2.5178 1.3733 C 0 0 0 0 0 0 0 0 0 0 0 0
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-9.4700 -1.5105 3.1154 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8830 3.9278 3.8266 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8364 2.4456 3.6138 H 0 0 0 0 0 0 0 0 0 0 0 0
15.9110 2.9485 2.2787 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6921 4.7514 3.3315 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4068 3.4141 2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0
15.2841 5.8283 1.9745 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3371 4.5709 0.7172 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0298 6.4187 -0.0723 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1185 6.5089 1.5446 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7683 5.6096 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0550 4.3435 0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0
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13.8055 4.6706 -1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0449 2.4626 -2.1777 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9489 2.3979 -0.7025 H 0 0 0 0 0 0 0 0 0 0 0 0
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10.1707 3.9495 -0.7722 H 0 0 0 0 0 0 0 0 0 0 0 0
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9.7400 2.9976 -3.6906 H 0 0 0 0 0 0 0 0 0 0 0 0
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10.3632 -2.5001 -2.4430 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1991 -2.8269 -1.1830 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2807 -2.7841 -0.3212 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4180 -1.3423 1.4097 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3696 -0.0832 0.7918 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7175 -1.7488 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9502 -0.6550 -2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9557 -1.7588 -1.2428 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4997 -0.2661 -0.4221 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4133 -2.4110 -0.5923 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0581 -1.8088 1.2922 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9715 0.2262 1.5534 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7120 0.9288 0.0504 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0206 0.2139 1.1001 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9005 2.5663 1.4384 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2613 2.0302 2.4741 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5737 1.8745 3.1227 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0963 -0.7653 3.1792 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5915 -1.5122 2.5365 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7881 -0.1249 3.6155 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2040 -1.8160 1.1708 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5168 -1.7814 -1.6523 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6536 -3.8920 -1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5354 -4.4391 -0.1231 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6894 -4.6699 -1.8579 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1833 -5.4954 -2.2605 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9383 -5.1713 -4.8649 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3623 -3.4819 -4.8884 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3770 -4.0178 0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7943 -3.7255 0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0
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-3.4044 0.6746 -2.4907 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9693 -1.1076 -3.8515 H 0 0 0 0 0 0 0 0 0 0 0 0
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-8.1432 -2.5066 0.6364 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9031 -1.5940 1.1185 H 0 0 0 0 0 0 0 0 0 0 0 0
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-14.2137 3.3401 -2.2214 H 0 0 0 0 0 0 0 0 0 0 0 0
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-9.9789 -2.4974 2.9728 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
8 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
16 18 1 0
14 19 1 0
19 20 2 0
19 21 1 0
21 22 1 0
22 23 1 0
23 24 1 0
24 25 1 0
24 26 1 0
22 27 1 0
27 28 2 0
27 29 1 0
29 30 1 0
30 31 1 0
31 32 1 0
32 33 1 0
33 34 1 0
33 35 2 0
30 36 1 0
36 37 2 0
36 38 1 0
38 39 1 0
39 40 1 0
40 41 1 0
41 42 1 0
41 43 1 0
39 44 1 0
44 45 2 0
44 46 1 0
46 47 1 0
47 48 1 0
48 49 1 0
49 50 1 0
50 51 1 0
50 52 2 0
47 53 1 0
53 54 2 0
53 55 1 0
55 56 1 0
56 57 1 0
57 58 2 0
57 59 1 0
59 60 1 0
60 61 1 0
61 62 1 0
62 63 1 0
62 64 1 0
60 65 1 0
65 66 2 0
65 67 1 0
67 68 1 0
68 69 1 0
69 70 1 0
70 71 1 0
70 72 1 0
68 73 1 0
73 74 2 0
73 75 1 0
56 76 1 0
76 77 1 0
76 78 1 0
1 79 1 0
1 80 1 0
1 81 1 0
2 82 1 0
2 83 1 0
3 84 1 0
3 85 1 0
4 86 1 0
4 87 1 0
5 88 1 0
5 89 1 0
6 90 1 0
6 91 1 0
7 92 1 0
7 93 1 0
8 94 1 6
9 95 1 0
10 96 1 0
10 97 1 0
13 98 1 0
14 99 1 6
15100 1 0
15101 1 0
16102 1 1
17103 1 0
17104 1 0
17105 1 0
18106 1 0
18107 1 0
18108 1 0
21109 1 0
22110 1 1
23111 1 0
23112 1 0
24113 1 6
25114 1 0
25115 1 0
25116 1 0
26117 1 0
26118 1 0
26119 1 0
29120 1 0
30121 1 6
31122 1 0
31123 1 0
32124 1 0
32125 1 0
34126 1 0
34127 1 0
38128 1 0
39129 1 6
40130 1 0
40131 1 0
41132 1 1
42133 1 0
42134 1 0
42135 1 0
43136 1 0
43137 1 0
43138 1 0
46139 1 0
47140 1 1
48141 1 0
48142 1 0
49143 1 0
49144 1 0
51145 1 0
51146 1 0
55147 1 0
56148 1 6
59149 1 0
60150 1 6
61151 1 0
61152 1 0
62153 1 1
63154 1 0
63155 1 0
63156 1 0
64157 1 0
64158 1 0
64159 1 0
67160 1 0
68161 1 1
69162 1 0
69163 1 0
70164 1 1
71165 1 0
71166 1 0
71167 1 0
72168 1 0
72169 1 0
72170 1 0
75171 1 0
76172 1 1
77173 1 0
77174 1 0
77175 1 0
78176 1 0
78177 1 0
78178 1 0
M END
3D SDF for NP0011497 (Cichofactin A)
Mrv1652307012121543D
178177 0 0 0 0 999 V2000
15.2792 3.3555 3.1238 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1441 4.1485 2.5147 C 0 0 2 0 0 0 0 0 0 0 0 0
14.6526 5.0542 1.4319 C 0 0 1 0 0 0 0 0 0 0 0 0
13.5617 5.8657 0.7624 C 0 0 2 0 0 0 0 0 0 0 0 0
12.5187 4.9344 0.1552 C 0 0 2 0 0 0 0 0 0 0 0 0
13.2227 4.0613 -0.8218 C 0 0 2 0 0 0 0 0 0 0 0 0
12.3652 3.0424 -1.5076 C 0 0 1 0 0 0 0 0 0 0 0 0
11.2520 3.5679 -2.3456 C 0 0 2 0 0 0 0 0 0 0 0 0
10.3275 4.3307 -1.6606 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5809 2.4754 -3.1473 C 0 0 2 0 0 0 0 0 0 0 0 0
9.9718 1.4136 -2.3154 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7945 1.7264 -1.0915 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6115 0.1587 -2.8138 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0064 -0.9042 -2.1117 C 0 0 1 0 0 0 0 0 0 0 0 0
9.8276 -1.9715 -1.5711 C 0 0 2 0 0 0 0 0 0 0 0 0
10.8902 -1.7358 -0.5808 C 0 0 2 0 0 0 0 0 0 0 0 0
10.5307 -1.1476 0.7312 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1247 -1.0324 -1.1308 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8015 -0.4863 -1.2783 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5148 0.7324 -1.3243 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0752 -1.3794 -0.5360 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9186 -1.2463 0.3207 C 0 0 1 0 0 0 0 0 0 0 0 0
5.8487 0.2018 0.8512 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1013 0.4311 1.6476 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1799 1.8421 2.2017 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1167 -0.5578 2.8347 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7202 -1.6793 -0.3818 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8294 -1.8653 -1.6465 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4440 -1.9299 0.1730 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3490 -2.3877 -0.7285 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5886 -3.8041 -1.0597 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7257 -4.4559 -2.0773 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8558 -3.8037 -3.4203 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9939 -4.1922 -4.4640 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7164 -2.9322 -3.6082 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0825 -2.0412 -0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9292 -0.8379 0.3001 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1055 -2.9872 0.2468 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1889 -2.9223 0.8682 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.9990 -3.3247 2.3013 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1186 -3.3554 3.2444 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.2708 -4.2356 2.9238 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5941 -2.0334 3.7836 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9141 -1.6866 0.6144 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5140 -0.5147 0.6713 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3035 -1.8289 0.2342 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.2561 -0.8263 -0.0530 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.7628 -0.6436 -1.4125 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.8688 -0.3646 -2.5464 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8681 -1.3585 -2.9320 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9734 -1.1165 -4.0326 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7448 -2.4367 -2.3505 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4806 -1.2376 0.8179 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0742 -1.7655 1.8758 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7682 -1.0263 0.4083 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.0511 -1.3558 0.9802 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.1509 -0.6326 0.3622 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7806 0.3294 -0.4501 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.5062 -0.8570 0.5321 N 0 0 0 0 0 0 0 0 0 0 0 0
-11.4741 -0.0231 -0.2012 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.5522 -0.9062 -0.7796 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.0051 -1.9590 -1.7262 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.2131 -2.7705 -2.2111 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.4140 -1.3163 -2.9579 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.0502 0.9971 0.7072 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.6530 1.1424 1.8775 O 0 0 0 0 0 0 0 0 0 0 0 0
-13.1011 1.8724 0.2697 N 0 0 0 0 0 0 0 0 0 0 0 0
-13.6512 2.8577 1.1465 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.4607 4.2658 0.7549 C 0 0 1 0 0 0 0 0 0 0 0 0
-14.0335 4.7290 -0.5335 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.7152 6.2367 -0.7065 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.4952 4.0709 -1.7724 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.0921 2.5178 1.3733 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.5906 1.5033 0.8238 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.8774 3.2998 2.1745 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.1437 -1.4726 2.4489 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.3581 -2.6702 2.9964 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4700 -1.5105 3.1154 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8830 3.9278 3.8266 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8364 2.4456 3.6138 H 0 0 0 0 0 0 0 0 0 0 0 0
15.9110 2.9485 2.2787 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6921 4.7514 3.3315 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4068 3.4141 2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0
15.2841 5.8283 1.9745 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3371 4.5709 0.7172 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0298 6.4187 -0.0723 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1185 6.5089 1.5446 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7683 5.6096 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0550 4.3435 0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9766 3.4583 -0.2244 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8055 4.6706 -1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0449 2.4626 -2.1777 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9489 2.3979 -0.7025 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7377 4.2434 -3.1162 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1707 3.9495 -0.7722 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2719 2.1240 -3.9136 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7400 2.9976 -3.6906 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8412 0.0166 -3.8522 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3766 -1.4430 -2.9602 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3632 -2.5001 -2.4430 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1991 -2.8269 -1.1830 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2807 -2.7841 -0.3212 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4180 -1.3423 1.4097 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3696 -0.0832 0.7918 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7175 -1.7488 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9502 -0.6550 -2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9557 -1.7588 -1.2428 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4997 -0.2661 -0.4221 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4133 -2.4110 -0.5923 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0581 -1.8088 1.2922 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9715 0.2262 1.5534 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7120 0.9288 0.0504 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0206 0.2139 1.1001 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9005 2.5663 1.4384 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2613 2.0302 2.4741 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5737 1.8745 3.1227 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0963 -0.7653 3.1792 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5915 -1.5122 2.5365 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7881 -0.1249 3.6155 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2040 -1.8160 1.1708 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5168 -1.7814 -1.6523 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6536 -3.8920 -1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5354 -4.4391 -0.1231 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6894 -4.6699 -1.8579 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1833 -5.4954 -2.2605 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9383 -5.1713 -4.8649 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3623 -3.4819 -4.8884 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3770 -4.0178 0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7943 -3.7255 0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1267 -2.7195 2.7195 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5414 -4.3739 2.2866 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6809 -3.8524 4.2214 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1255 -5.2458 3.4072 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4499 -4.4284 1.8595 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1900 -3.8328 3.4442 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0015 -1.7232 4.6667 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6446 -1.2238 3.0348 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6495 -2.1752 4.1585 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6363 -2.8141 0.1698 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9310 0.1358 0.3703 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4721 -1.4584 -1.7084 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4426 0.2955 -1.3869 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5391 -0.2341 -3.4532 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4044 0.6746 -2.4907 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9693 -1.1076 -3.8515 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3875 -0.9601 -4.9543 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9199 -0.5155 -0.5573 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1432 -2.5066 0.6364 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9031 -1.5940 1.1185 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9181 0.4946 -1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.1352 -1.3660 0.0419 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.2642 -0.2800 -1.3753 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.2629 -2.6013 -1.2281 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.7828 -2.0903 -2.9159 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.8497 -3.0317 -1.3588 H 0 0 0 0 0 0 0 0 0 0 0 0
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-10.3715 -1.0122 -2.7439 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4017 -2.0284 -3.8230 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9831 -0.3805 -3.2160 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4748 1.7722 -0.6883 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.0947 2.7342 2.1364 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.8286 4.9364 1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.3453 4.4582 0.6972 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.1498 4.6737 -0.5607 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.7886 6.3169 -1.2989 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.5397 6.7074 -1.2785 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.5839 6.7025 0.2764 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4937 3.6640 -1.6178 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.3703 4.8572 -2.5730 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.2137 3.3401 -2.2214 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.5104 3.6549 3.0425 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6144 -0.5308 2.8701 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1361 -3.3710 3.4958 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9209 -3.3038 2.2353 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6747 -2.3908 3.7982 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2556 -1.5258 4.2688 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0923 -0.6294 3.0161 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9789 -2.4974 2.9728 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
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3 4 1 0 0 0 0
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6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
10 11 1 0 0 0 0
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15 16 1 0 0 0 0
16 17 1 0 0 0 0
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14 19 1 0 0 0 0
19 20 2 0 0 0 0
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22 23 1 0 0 0 0
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24 26 1 0 0 0 0
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29 30 1 0 0 0 0
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31 32 1 0 0 0 0
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33 35 2 0 0 0 0
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38 39 1 0 0 0 0
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41 43 1 0 0 0 0
39 44 1 0 0 0 0
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47 48 1 0 0 0 0
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49 50 1 0 0 0 0
50 51 1 0 0 0 0
50 52 2 0 0 0 0
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53 54 2 0 0 0 0
53 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 2 0 0 0 0
57 59 1 0 0 0 0
59 60 1 0 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
62 64 1 0 0 0 0
60 65 1 0 0 0 0
65 66 2 0 0 0 0
65 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
68 73 1 0 0 0 0
73 74 2 0 0 0 0
73 75 1 0 0 0 0
56 76 1 0 0 0 0
76 77 1 0 0 0 0
76 78 1 0 0 0 0
1 79 1 0 0 0 0
1 80 1 0 0 0 0
1 81 1 0 0 0 0
2 82 1 0 0 0 0
2 83 1 0 0 0 0
3 84 1 0 0 0 0
3 85 1 0 0 0 0
4 86 1 0 0 0 0
4 87 1 0 0 0 0
5 88 1 0 0 0 0
5 89 1 0 0 0 0
6 90 1 0 0 0 0
6 91 1 0 0 0 0
7 92 1 0 0 0 0
7 93 1 0 0 0 0
8 94 1 6 0 0 0
9 95 1 0 0 0 0
10 96 1 0 0 0 0
10 97 1 0 0 0 0
13 98 1 0 0 0 0
14 99 1 6 0 0 0
15100 1 0 0 0 0
15101 1 0 0 0 0
16102 1 1 0 0 0
17103 1 0 0 0 0
17104 1 0 0 0 0
17105 1 0 0 0 0
18106 1 0 0 0 0
18107 1 0 0 0 0
18108 1 0 0 0 0
21109 1 0 0 0 0
22110 1 1 0 0 0
23111 1 0 0 0 0
23112 1 0 0 0 0
24113 1 6 0 0 0
25114 1 0 0 0 0
25115 1 0 0 0 0
25116 1 0 0 0 0
26117 1 0 0 0 0
26118 1 0 0 0 0
26119 1 0 0 0 0
29120 1 0 0 0 0
30121 1 6 0 0 0
31122 1 0 0 0 0
31123 1 0 0 0 0
32124 1 0 0 0 0
32125 1 0 0 0 0
34126 1 0 0 0 0
34127 1 0 0 0 0
38128 1 0 0 0 0
39129 1 6 0 0 0
40130 1 0 0 0 0
40131 1 0 0 0 0
41132 1 1 0 0 0
42133 1 0 0 0 0
42134 1 0 0 0 0
42135 1 0 0 0 0
43136 1 0 0 0 0
43137 1 0 0 0 0
43138 1 0 0 0 0
46139 1 0 0 0 0
47140 1 1 0 0 0
48141 1 0 0 0 0
48142 1 0 0 0 0
49143 1 0 0 0 0
49144 1 0 0 0 0
51145 1 0 0 0 0
51146 1 0 0 0 0
55147 1 0 0 0 0
56148 1 6 0 0 0
59149 1 0 0 0 0
60150 1 6 0 0 0
61151 1 0 0 0 0
61152 1 0 0 0 0
62153 1 1 0 0 0
63154 1 0 0 0 0
63155 1 0 0 0 0
63156 1 0 0 0 0
64157 1 0 0 0 0
64158 1 0 0 0 0
64159 1 0 0 0 0
67160 1 0 0 0 0
68161 1 1 0 0 0
69162 1 0 0 0 0
69163 1 0 0 0 0
70164 1 1 0 0 0
71165 1 0 0 0 0
71166 1 0 0 0 0
71167 1 0 0 0 0
72168 1 0 0 0 0
72169 1 0 0 0 0
72170 1 0 0 0 0
75171 1 0 0 0 0
76172 1 1 0 0 0
77173 1 0 0 0 0
77174 1 0 0 0 0
77175 1 0 0 0 0
78176 1 0 0 0 0
78177 1 0 0 0 0
78178 1 0 0 0 0
M END
> <DATABASE_ID>
NP0011497
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C55H100N10O13/c1-14-15-16-17-18-19-36(66)29-46(69)58-39(24-30(2)3)50(72)62-41(26-32(6)7)52(74)59-37(20-22-44(56)67)48(70)61-40(25-31(4)5)51(73)60-38(21-23-45(57)68)49(71)65-47(35(12)13)54(76)63-42(27-33(8)9)53(75)64-43(55(77)78)28-34(10)11/h30-43,47,66H,14-29H2,1-13H3,(H2,56,67)(H2,57,68)(H,58,69)(H,59,74)(H,60,73)(H,61,70)(H,62,72)(H,63,76)(H,64,75)(H,65,71)(H,77,78)/t36-,37-,38-,39-,40-,41-,42-,43-,47-/m0/s1
> <INCHI_KEY>
CLQUREOEOAUALG-KGOGKQBBSA-N
> <FORMULA>
C55H100N10O13
> <MOLECULAR_WEIGHT>
1109.462
> <EXACT_MASS>
1108.74713332
> <JCHEM_ACCEPTOR_COUNT>
13
> <JCHEM_ATOM_COUNT>
178
> <JCHEM_AVERAGE_POLARIZABILITY>
125.22860573648737
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
12
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-2-{2-[(3S)-3-hydroxydecanamido]-4-methylpentanamido}-4-methylpentanamido]butanamido]-4-methylpentanamido]butanamido]-3-methylbutanamido]-4-methylpentanamido]-4-methylpentanoic acid
> <ALOGPS_LOGP>
2.28
> <JCHEM_LOGP>
2.9040671076666724
> <ALOGPS_LOGS>
-5.14
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
0
> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1
> <JCHEM_PKA>
11.637167768491892
> <JCHEM_PKA_STRONGEST_ACIDIC>
3.9796491436691084
> <JCHEM_POLAR_SURFACE_AREA>
376.50999999999993
> <JCHEM_REFRACTIVITY>
291.96110000000016
> <JCHEM_ROTATABLE_BOND_COUNT>
41
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
8.04e-03 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-2-{2-[(3S)-3-hydroxydecanamido]-4-methylpentanamido}-4-methylpentanamido]butanamido]-4-methylpentanamido]butanamido]-3-methylbutanamido]-4-methylpentanamido]-4-methylpentanoic acid
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0011497 (Cichofactin A)
RDKit 3D
178177 0 0 0 0 0 0 0 0999 V2000
15.2792 3.3555 3.1238 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1441 4.1485 2.5147 C 0 0 0 0 0 0 0 0 0 0 0 0
14.6526 5.0542 1.4319 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5617 5.8657 0.7624 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5187 4.9344 0.1552 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2227 4.0613 -0.8218 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3652 3.0424 -1.5076 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2520 3.5679 -2.3456 C 0 0 2 0 0 0 0 0 0 0 0 0
10.3275 4.3307 -1.6606 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5809 2.4754 -3.1473 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9718 1.4136 -2.3154 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7945 1.7264 -1.0915 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6115 0.1587 -2.8138 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0064 -0.9042 -2.1117 C 0 0 1 0 0 0 0 0 0 0 0 0
9.8276 -1.9715 -1.5711 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8902 -1.7358 -0.5808 C 0 0 2 0 0 0 0 0 0 0 0 0
10.5307 -1.1476 0.7312 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1247 -1.0324 -1.1308 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8015 -0.4863 -1.2783 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5148 0.7324 -1.3243 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0752 -1.3794 -0.5360 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9186 -1.2463 0.3207 C 0 0 1 0 0 0 0 0 0 0 0 0
5.8487 0.2018 0.8512 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1013 0.4311 1.6476 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1799 1.8421 2.2017 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1167 -0.5578 2.8347 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7202 -1.6793 -0.3818 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8294 -1.8653 -1.6465 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4440 -1.9299 0.1730 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3490 -2.3877 -0.7285 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5886 -3.8041 -1.0597 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7257 -4.4559 -2.0773 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8558 -3.8037 -3.4203 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9939 -4.1922 -4.4640 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7164 -2.9322 -3.6082 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0825 -2.0412 -0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9292 -0.8379 0.3001 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1055 -2.9872 0.2468 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1889 -2.9223 0.8682 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.9990 -3.3247 2.3013 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1186 -3.3554 3.2444 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.2708 -4.2356 2.9238 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5941 -2.0334 3.7836 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9141 -1.6866 0.6144 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5140 -0.5147 0.6713 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3035 -1.8289 0.2342 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.2561 -0.8263 -0.0530 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.7628 -0.6436 -1.4125 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8688 -0.3646 -2.5464 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8681 -1.3585 -2.9320 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9734 -1.1165 -4.0326 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7448 -2.4367 -2.3505 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4806 -1.2376 0.8179 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0742 -1.7655 1.8758 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7682 -1.0263 0.4083 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.0511 -1.3558 0.9802 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.1509 -0.6326 0.3622 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7806 0.3294 -0.4501 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.5062 -0.8570 0.5321 N 0 0 0 0 0 0 0 0 0 0 0 0
-11.4741 -0.0231 -0.2012 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.5522 -0.9062 -0.7796 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.0051 -1.9590 -1.7262 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.2131 -2.7705 -2.2111 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.4140 -1.3163 -2.9579 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.0502 0.9971 0.7072 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.6530 1.1424 1.8775 O 0 0 0 0 0 0 0 0 0 0 0 0
-13.1011 1.8724 0.2697 N 0 0 0 0 0 0 0 0 0 0 0 0
-13.6512 2.8577 1.1465 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.4607 4.2658 0.7549 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.0335 4.7290 -0.5335 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.7152 6.2367 -0.7065 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.4952 4.0709 -1.7724 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.0921 2.5178 1.3733 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.5906 1.5033 0.8238 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.8774 3.2998 2.1745 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.1437 -1.4726 2.4489 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.3581 -2.6702 2.9964 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4700 -1.5105 3.1154 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8830 3.9278 3.8266 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8364 2.4456 3.6138 H 0 0 0 0 0 0 0 0 0 0 0 0
15.9110 2.9485 2.2787 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6921 4.7514 3.3315 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4068 3.4141 2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0
15.2841 5.8283 1.9745 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3371 4.5709 0.7172 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0298 6.4187 -0.0723 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1185 6.5089 1.5446 H 0 0 0 0 0 0 0 0 0 0 0 0
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M END
PDB for NP0011497 (Cichofactin 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 15.279 3.356 3.124 0.00 0.00 C+0 HETATM 2 C UNK 0 14.144 4.149 2.515 0.00 0.00 C+0 HETATM 3 C UNK 0 14.653 5.054 1.432 0.00 0.00 C+0 HETATM 4 C UNK 0 13.562 5.866 0.762 0.00 0.00 C+0 HETATM 5 C UNK 0 12.519 4.934 0.155 0.00 0.00 C+0 HETATM 6 C UNK 0 13.223 4.061 -0.822 0.00 0.00 C+0 HETATM 7 C UNK 0 12.365 3.042 -1.508 0.00 0.00 C+0 HETATM 8 C UNK 0 11.252 3.568 -2.346 0.00 0.00 C+0 HETATM 9 O UNK 0 10.328 4.331 -1.661 0.00 0.00 O+0 HETATM 10 C UNK 0 10.581 2.475 -3.147 0.00 0.00 C+0 HETATM 11 C UNK 0 9.972 1.414 -2.315 0.00 0.00 C+0 HETATM 12 O UNK 0 9.794 1.726 -1.091 0.00 0.00 O+0 HETATM 13 N UNK 0 9.611 0.159 -2.814 0.00 0.00 N+0 HETATM 14 C UNK 0 9.006 -0.904 -2.112 0.00 0.00 C+0 HETATM 15 C UNK 0 9.828 -1.972 -1.571 0.00 0.00 C+0 HETATM 16 C UNK 0 10.890 -1.736 -0.581 0.00 0.00 C+0 HETATM 17 C UNK 0 10.531 -1.148 0.731 0.00 0.00 C+0 HETATM 18 C UNK 0 12.125 -1.032 -1.131 0.00 0.00 C+0 HETATM 19 C UNK 0 7.801 -0.486 -1.278 0.00 0.00 C+0 HETATM 20 O UNK 0 7.515 0.732 -1.324 0.00 0.00 O+0 HETATM 21 N UNK 0 7.075 -1.379 -0.536 0.00 0.00 N+0 HETATM 22 C UNK 0 5.919 -1.246 0.321 0.00 0.00 C+0 HETATM 23 C UNK 0 5.849 0.202 0.851 0.00 0.00 C+0 HETATM 24 C UNK 0 7.101 0.431 1.648 0.00 0.00 C+0 HETATM 25 C UNK 0 7.180 1.842 2.202 0.00 0.00 C+0 HETATM 26 C UNK 0 7.117 -0.558 2.835 0.00 0.00 C+0 HETATM 27 C UNK 0 4.720 -1.679 -0.382 0.00 0.00 C+0 HETATM 28 O UNK 0 4.829 -1.865 -1.647 0.00 0.00 O+0 HETATM 29 N UNK 0 3.444 -1.930 0.173 0.00 0.00 N+0 HETATM 30 C UNK 0 2.349 -2.388 -0.729 0.00 0.00 C+0 HETATM 31 C UNK 0 2.589 -3.804 -1.060 0.00 0.00 C+0 HETATM 32 C UNK 0 1.726 -4.456 -2.077 0.00 0.00 C+0 HETATM 33 C UNK 0 1.856 -3.804 -3.420 0.00 0.00 C+0 HETATM 34 N UNK 0 0.994 -4.192 -4.464 0.00 0.00 N+0 HETATM 35 O UNK 0 2.716 -2.932 -3.608 0.00 0.00 O+0 HETATM 36 C UNK 0 1.083 -2.041 -0.037 0.00 0.00 C+0 HETATM 37 O UNK 0 0.929 -0.838 0.300 0.00 0.00 O+0 HETATM 38 N UNK 0 0.106 -2.987 0.247 0.00 0.00 N+0 HETATM 39 C UNK 0 -1.189 -2.922 0.868 0.00 0.00 C+0 HETATM 40 C UNK 0 -0.999 -3.325 2.301 0.00 0.00 C+0 HETATM 41 C UNK 0 -2.119 -3.355 3.244 0.00 0.00 C+0 HETATM 42 C UNK 0 -3.271 -4.236 2.924 0.00 0.00 C+0 HETATM 43 C UNK 0 -2.594 -2.033 3.784 0.00 0.00 C+0 HETATM 44 C UNK 0 -1.914 -1.687 0.614 0.00 0.00 C+0 HETATM 45 O UNK 0 -1.514 -0.515 0.671 0.00 0.00 O+0 HETATM 46 N UNK 0 -3.304 -1.829 0.234 0.00 0.00 N+0 HETATM 47 C UNK 0 -4.256 -0.826 -0.053 0.00 0.00 C+0 HETATM 48 C UNK 0 -4.763 -0.644 -1.413 0.00 0.00 C+0 HETATM 49 C UNK 0 -3.869 -0.365 -2.546 0.00 0.00 C+0 HETATM 50 C UNK 0 -2.868 -1.359 -2.932 0.00 0.00 C+0 HETATM 51 N UNK 0 -1.973 -1.117 -4.033 0.00 0.00 N+0 HETATM 52 O UNK 0 -2.745 -2.437 -2.350 0.00 0.00 O+0 HETATM 53 C UNK 0 -5.481 -1.238 0.818 0.00 0.00 C+0 HETATM 54 O UNK 0 -5.074 -1.766 1.876 0.00 0.00 O+0 HETATM 55 N UNK 0 -6.768 -1.026 0.408 0.00 0.00 N+0 HETATM 56 C UNK 0 -8.051 -1.356 0.980 0.00 0.00 C+0 HETATM 57 C UNK 0 -9.151 -0.633 0.362 0.00 0.00 C+0 HETATM 58 O UNK 0 -8.781 0.329 -0.450 0.00 0.00 O+0 HETATM 59 N UNK 0 -10.506 -0.857 0.532 0.00 0.00 N+0 HETATM 60 C UNK 0 -11.474 -0.023 -0.201 0.00 0.00 C+0 HETATM 61 C UNK 0 -12.552 -0.906 -0.780 0.00 0.00 C+0 HETATM 62 C UNK 0 -12.005 -1.959 -1.726 0.00 0.00 C+0 HETATM 63 C UNK 0 -13.213 -2.771 -2.211 0.00 0.00 C+0 HETATM 64 C UNK 0 -11.414 -1.316 -2.958 0.00 0.00 C+0 HETATM 65 C UNK 0 -12.050 0.997 0.707 0.00 0.00 C+0 HETATM 66 O UNK 0 -11.653 1.142 1.878 0.00 0.00 O+0 HETATM 67 N UNK 0 -13.101 1.872 0.270 0.00 0.00 N+0 HETATM 68 C UNK 0 -13.651 2.858 1.147 0.00 0.00 C+0 HETATM 69 C UNK 0 -13.461 4.266 0.755 0.00 0.00 C+0 HETATM 70 C UNK 0 -14.034 4.729 -0.534 0.00 0.00 C+0 HETATM 71 C UNK 0 -13.715 6.237 -0.707 0.00 0.00 C+0 HETATM 72 C UNK 0 -13.495 4.071 -1.772 0.00 0.00 C+0 HETATM 73 C UNK 0 -15.092 2.518 1.373 0.00 0.00 C+0 HETATM 74 O UNK 0 -15.591 1.503 0.824 0.00 0.00 O+0 HETATM 75 O UNK 0 -15.877 3.300 2.175 0.00 0.00 O+0 HETATM 76 C UNK 0 -8.144 -1.473 2.449 0.00 0.00 C+0 HETATM 77 C UNK 0 -7.358 -2.670 2.996 0.00 0.00 C+0 HETATM 78 C UNK 0 -9.470 -1.510 3.115 0.00 0.00 C+0 HETATM 79 H UNK 0 15.883 3.928 3.827 0.00 0.00 H+0 HETATM 80 H UNK 0 14.836 2.446 3.614 0.00 0.00 H+0 HETATM 81 H UNK 0 15.911 2.949 2.279 0.00 0.00 H+0 HETATM 82 H UNK 0 13.692 4.751 3.332 0.00 0.00 H+0 HETATM 83 H UNK 0 13.407 3.414 2.157 0.00 0.00 H+0 HETATM 84 H UNK 0 15.284 5.828 1.974 0.00 0.00 H+0 HETATM 85 H UNK 0 15.337 4.571 0.717 0.00 0.00 H+0 HETATM 86 H UNK 0 14.030 6.419 -0.072 0.00 0.00 H+0 HETATM 87 H UNK 0 13.118 6.509 1.545 0.00 0.00 H+0 HETATM 88 H UNK 0 11.768 5.610 -0.339 0.00 0.00 H+0 HETATM 89 H UNK 0 12.055 4.343 0.963 0.00 0.00 H+0 HETATM 90 H UNK 0 13.977 3.458 -0.224 0.00 0.00 H+0 HETATM 91 H UNK 0 13.806 4.671 -1.547 0.00 0.00 H+0 HETATM 92 H UNK 0 13.045 2.463 -2.178 0.00 0.00 H+0 HETATM 93 H UNK 0 11.949 2.398 -0.703 0.00 0.00 H+0 HETATM 94 H UNK 0 11.738 4.243 -3.116 0.00 0.00 H+0 HETATM 95 H UNK 0 10.171 3.950 -0.772 0.00 0.00 H+0 HETATM 96 H UNK 0 11.272 2.124 -3.914 0.00 0.00 H+0 HETATM 97 H UNK 0 9.740 2.998 -3.691 0.00 0.00 H+0 HETATM 98 H UNK 0 9.841 0.017 -3.852 0.00 0.00 H+0 HETATM 99 H UNK 0 8.377 -1.443 -2.960 0.00 0.00 H+0 HETATM 100 H UNK 0 10.363 -2.500 -2.443 0.00 0.00 H+0 HETATM 101 H UNK 0 9.199 -2.827 -1.183 0.00 0.00 H+0 HETATM 102 H UNK 0 11.281 -2.784 -0.321 0.00 0.00 H+0 HETATM 103 H UNK 0 11.418 -1.342 1.410 0.00 0.00 H+0 HETATM 104 H UNK 0 10.370 -0.083 0.792 0.00 0.00 H+0 HETATM 105 H UNK 0 9.717 -1.749 1.234 0.00 0.00 H+0 HETATM 106 H UNK 0 11.950 -0.655 -2.161 0.00 0.00 H+0 HETATM 107 H UNK 0 12.956 -1.759 -1.243 0.00 0.00 H+0 HETATM 108 H UNK 0 12.500 -0.266 -0.422 0.00 0.00 H+0 HETATM 109 H UNK 0 7.413 -2.411 -0.592 0.00 0.00 H+0 HETATM 110 H UNK 0 6.058 -1.809 1.292 0.00 0.00 H+0 HETATM 111 H UNK 0 4.971 0.226 1.553 0.00 0.00 H+0 HETATM 112 H UNK 0 5.712 0.929 0.050 0.00 0.00 H+0 HETATM 113 H UNK 0 8.021 0.214 1.100 0.00 0.00 H+0 HETATM 114 H UNK 0 6.901 2.566 1.438 0.00 0.00 H+0 HETATM 115 H UNK 0 8.261 2.030 2.474 0.00 0.00 H+0 HETATM 116 H UNK 0 6.574 1.875 3.123 0.00 0.00 H+0 HETATM 117 H UNK 0 6.096 -0.765 3.179 0.00 0.00 H+0 HETATM 118 H UNK 0 7.591 -1.512 2.537 0.00 0.00 H+0 HETATM 119 H UNK 0 7.788 -0.125 3.615 0.00 0.00 H+0 HETATM 120 H UNK 0 3.204 -1.816 1.171 0.00 0.00 H+0 HETATM 121 H UNK 0 2.517 -1.781 -1.652 0.00 0.00 H+0 HETATM 122 H UNK 0 3.654 -3.892 -1.389 0.00 0.00 H+0 HETATM 123 H UNK 0 2.535 -4.439 -0.123 0.00 0.00 H+0 HETATM 124 H UNK 0 0.689 -4.670 -1.858 0.00 0.00 H+0 HETATM 125 H UNK 0 2.183 -5.495 -2.260 0.00 0.00 H+0 HETATM 126 H UNK 0 0.938 -5.171 -4.865 0.00 0.00 H+0 HETATM 127 H UNK 0 0.362 -3.482 -4.888 0.00 0.00 H+0 HETATM 128 H UNK 0 0.377 -4.018 0.023 0.00 0.00 H+0 HETATM 129 H UNK 0 -1.794 -3.725 0.289 0.00 0.00 H+0 HETATM 130 H UNK 0 -0.127 -2.720 2.720 0.00 0.00 H+0 HETATM 131 H UNK 0 -0.541 -4.374 2.287 0.00 0.00 H+0 HETATM 132 H UNK 0 -1.681 -3.852 4.221 0.00 0.00 H+0 HETATM 133 H UNK 0 -3.126 -5.246 3.407 0.00 0.00 H+0 HETATM 134 H UNK 0 -3.450 -4.428 1.859 0.00 0.00 H+0 HETATM 135 H UNK 0 -4.190 -3.833 3.444 0.00 0.00 H+0 HETATM 136 H UNK 0 -2.002 -1.723 4.667 0.00 0.00 H+0 HETATM 137 H UNK 0 -2.645 -1.224 3.035 0.00 0.00 H+0 HETATM 138 H UNK 0 -3.650 -2.175 4.159 0.00 0.00 H+0 HETATM 139 H UNK 0 -3.636 -2.814 0.170 0.00 0.00 H+0 HETATM 140 H UNK 0 -3.931 0.136 0.370 0.00 0.00 H+0 HETATM 141 H UNK 0 -5.472 -1.458 -1.708 0.00 0.00 H+0 HETATM 142 H UNK 0 -5.443 0.296 -1.387 0.00 0.00 H+0 HETATM 143 H UNK 0 -4.539 -0.234 -3.453 0.00 0.00 H+0 HETATM 144 H UNK 0 -3.404 0.675 -2.491 0.00 0.00 H+0 HETATM 145 H UNK 0 -0.969 -1.108 -3.852 0.00 0.00 H+0 HETATM 146 H UNK 0 -2.388 -0.960 -4.954 0.00 0.00 H+0 HETATM 147 H UNK 0 -6.920 -0.516 -0.557 0.00 0.00 H+0 HETATM 148 H UNK 0 -8.143 -2.507 0.636 0.00 0.00 H+0 HETATM 149 H UNK 0 -10.903 -1.594 1.119 0.00 0.00 H+0 HETATM 150 H UNK 0 -10.918 0.495 -1.030 0.00 0.00 H+0 HETATM 151 H UNK 0 -13.135 -1.366 0.042 0.00 0.00 H+0 HETATM 152 H UNK 0 -13.264 -0.280 -1.375 0.00 0.00 H+0 HETATM 153 H UNK 0 -11.263 -2.601 -1.228 0.00 0.00 H+0 HETATM 154 H UNK 0 -13.783 -2.090 -2.916 0.00 0.00 H+0 HETATM 155 H UNK 0 -13.850 -3.032 -1.359 0.00 0.00 H+0 HETATM 156 H UNK 0 -12.868 -3.656 -2.776 0.00 0.00 H+0 HETATM 157 H UNK 0 -10.371 -1.012 -2.744 0.00 0.00 H+0 HETATM 158 H UNK 0 -11.402 -2.028 -3.823 0.00 0.00 H+0 HETATM 159 H UNK 0 -11.983 -0.381 -3.216 0.00 0.00 H+0 HETATM 160 H UNK 0 -13.475 1.772 -0.688 0.00 0.00 H+0 HETATM 161 H UNK 0 -13.095 2.734 2.136 0.00 0.00 H+0 HETATM 162 H UNK 0 -13.829 4.936 1.585 0.00 0.00 H+0 HETATM 163 H UNK 0 -12.345 4.458 0.697 0.00 0.00 H+0 HETATM 164 H UNK 0 -15.150 4.674 -0.561 0.00 0.00 H+0 HETATM 165 H UNK 0 -12.789 6.317 -1.299 0.00 0.00 H+0 HETATM 166 H UNK 0 -14.540 6.707 -1.278 0.00 0.00 H+0 HETATM 167 H UNK 0 -13.584 6.702 0.276 0.00 0.00 H+0 HETATM 168 H UNK 0 -12.494 3.664 -1.618 0.00 0.00 H+0 HETATM 169 H UNK 0 -13.370 4.857 -2.573 0.00 0.00 H+0 HETATM 170 H UNK 0 -14.214 3.340 -2.221 0.00 0.00 H+0 HETATM 171 H UNK 0 -15.510 3.655 3.042 0.00 0.00 H+0 HETATM 172 H UNK 0 -7.614 -0.531 2.870 0.00 0.00 H+0 HETATM 173 H UNK 0 -8.136 -3.371 3.496 0.00 0.00 H+0 HETATM 174 H UNK 0 -6.921 -3.304 2.235 0.00 0.00 H+0 HETATM 175 H UNK 0 -6.675 -2.391 3.798 0.00 0.00 H+0 HETATM 176 H UNK 0 -9.256 -1.526 4.269 0.00 0.00 H+0 HETATM 177 H UNK 0 -10.092 -0.629 3.016 0.00 0.00 H+0 HETATM 178 H UNK 0 -9.979 -2.497 2.973 0.00 0.00 H+0 CONECT 1 2 79 80 81 CONECT 2 1 3 82 83 CONECT 3 2 4 84 85 CONECT 4 3 5 86 87 CONECT 5 4 6 88 89 CONECT 6 5 7 90 91 CONECT 7 6 8 92 93 CONECT 8 7 9 10 94 CONECT 9 8 95 CONECT 10 8 11 96 97 CONECT 11 10 12 13 CONECT 12 11 CONECT 13 11 14 98 CONECT 14 13 15 19 99 CONECT 15 14 16 100 101 CONECT 16 15 17 18 102 CONECT 17 16 103 104 105 CONECT 18 16 106 107 108 CONECT 19 14 20 21 CONECT 20 19 CONECT 21 19 22 109 CONECT 22 21 23 27 110 CONECT 23 22 24 111 112 CONECT 24 23 25 26 113 CONECT 25 24 114 115 116 CONECT 26 24 117 118 119 CONECT 27 22 28 29 CONECT 28 27 CONECT 29 27 30 120 CONECT 30 29 31 36 121 CONECT 31 30 32 122 123 CONECT 32 31 33 124 125 CONECT 33 32 34 35 CONECT 34 33 126 127 CONECT 35 33 CONECT 36 30 37 38 CONECT 37 36 CONECT 38 36 39 128 CONECT 39 38 40 44 129 CONECT 40 39 41 130 131 CONECT 41 40 42 43 132 CONECT 42 41 133 134 135 CONECT 43 41 136 137 138 CONECT 44 39 45 46 CONECT 45 44 CONECT 46 44 47 139 CONECT 47 46 48 53 140 CONECT 48 47 49 141 142 CONECT 49 48 50 143 144 CONECT 50 49 51 52 CONECT 51 50 145 146 CONECT 52 50 CONECT 53 47 54 55 CONECT 54 53 CONECT 55 53 56 147 CONECT 56 55 57 76 148 CONECT 57 56 58 59 CONECT 58 57 CONECT 59 57 60 149 CONECT 60 59 61 65 150 CONECT 61 60 62 151 152 CONECT 62 61 63 64 153 CONECT 63 62 154 155 156 CONECT 64 62 157 158 159 CONECT 65 60 66 67 CONECT 66 65 CONECT 67 65 68 160 CONECT 68 67 69 73 161 CONECT 69 68 70 162 163 CONECT 70 69 71 72 164 CONECT 71 70 165 166 167 CONECT 72 70 168 169 170 CONECT 73 68 74 75 CONECT 74 73 CONECT 75 73 171 CONECT 76 56 77 78 172 CONECT 77 76 173 174 175 CONECT 78 76 176 177 178 CONECT 79 1 CONECT 80 1 CONECT 81 1 CONECT 82 2 CONECT 83 2 CONECT 84 3 CONECT 85 3 CONECT 86 4 CONECT 87 4 CONECT 88 5 CONECT 89 5 CONECT 90 6 CONECT 91 6 CONECT 92 7 CONECT 93 7 CONECT 94 8 CONECT 95 9 CONECT 96 10 CONECT 97 10 CONECT 98 13 CONECT 99 14 CONECT 100 15 CONECT 101 15 CONECT 102 16 CONECT 103 17 CONECT 104 17 CONECT 105 17 CONECT 106 18 CONECT 107 18 CONECT 108 18 CONECT 109 21 CONECT 110 22 CONECT 111 23 CONECT 112 23 CONECT 113 24 CONECT 114 25 CONECT 115 25 CONECT 116 25 CONECT 117 26 CONECT 118 26 CONECT 119 26 CONECT 120 29 CONECT 121 30 CONECT 122 31 CONECT 123 31 CONECT 124 32 CONECT 125 32 CONECT 126 34 CONECT 127 34 CONECT 128 38 CONECT 129 39 CONECT 130 40 CONECT 131 40 CONECT 132 41 CONECT 133 42 CONECT 134 42 CONECT 135 42 CONECT 136 43 CONECT 137 43 CONECT 138 43 CONECT 139 46 CONECT 140 47 CONECT 141 48 CONECT 142 48 CONECT 143 49 CONECT 144 49 CONECT 145 51 CONECT 146 51 CONECT 147 55 CONECT 148 56 CONECT 149 59 CONECT 150 60 CONECT 151 61 CONECT 152 61 CONECT 153 62 CONECT 154 63 CONECT 155 63 CONECT 156 63 CONECT 157 64 CONECT 158 64 CONECT 159 64 CONECT 160 67 CONECT 161 68 CONECT 162 69 CONECT 163 69 CONECT 164 70 CONECT 165 71 CONECT 166 71 CONECT 167 71 CONECT 168 72 CONECT 169 72 CONECT 170 72 CONECT 171 75 CONECT 172 76 CONECT 173 77 CONECT 174 77 CONECT 175 77 CONECT 176 78 CONECT 177 78 CONECT 178 78 MASTER 0 0 0 0 0 0 0 0 178 0 354 0 END SMILES for NP0011497 (Cichofactin A)[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H] INCHI for NP0011497 (Cichofactin A)InChI=1S/C55H100N10O13/c1-14-15-16-17-18-19-36(66)29-46(69)58-39(24-30(2)3)50(72)62-41(26-32(6)7)52(74)59-37(20-22-44(56)67)48(70)61-40(25-31(4)5)51(73)60-38(21-23-45(57)68)49(71)65-47(35(12)13)54(76)63-42(27-33(8)9)53(75)64-43(55(77)78)28-34(10)11/h30-43,47,66H,14-29H2,1-13H3,(H2,56,67)(H2,57,68)(H,58,69)(H,59,74)(H,60,73)(H,61,70)(H,62,72)(H,63,76)(H,64,75)(H,65,71)(H,77,78)/t36-,37-,38-,39-,40-,41-,42-,43-,47-/m0/s1 3D Structure for NP0011497 (Cichofactin A) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
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| Chemical Formula | C55H100N10O13 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1109.4620 Da | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1108.74713 Da | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2S)-2-[(2S)-2-[(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-2-{2-[(3S)-3-hydroxydecanamido]-4-methylpentanamido}-4-methylpentanamido]butanamido]-4-methylpentanamido]butanamido]-3-methylbutanamido]-4-methylpentanamido]-4-methylpentanoic acid | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (2S)-2-[(2S)-2-[(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-2-{2-[(3S)-3-hydroxydecanamido]-4-methylpentanamido}-4-methylpentanamido]butanamido]-4-methylpentanamido]butanamido]-3-methylbutanamido]-4-methylpentanamido]-4-methylpentanoic acid | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CCCCCCCC(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C55H100N10O13/c1-14-15-16-17-18-19-36(66)29-46(69)58-39(24-30(2)3)50(72)62-41(26-32(6)7)52(74)59-37(20-22-44(56)67)48(70)61-40(25-31(4)5)51(73)60-38(21-23-45(57)68)49(71)65-47(35(12)13)54(76)63-42(27-33(8)9)53(75)64-43(55(77)78)28-34(10)11/h30-43,47,66H,14-29H2,1-13H3,(H2,56,67)(H2,57,68)(H,58,69)(H,59,74)(H,60,73)(H,61,70)(H,62,72)(H,63,76)(H,64,75)(H,65,71)(H,77,78)/t36?,37-,38-,39-,40-,41-,42-,43-,47-/m0/s1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | CLQUREOEOAUALG-KGOGKQBBSA-N | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Chemical Shift Submissions | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
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| Chemical Taxonomy | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA020361 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 78442850 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 139588802 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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