Showing NP-Card for Landomycin T (NP0009673)
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| Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-05 19:16:18 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:03:56 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0009673 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Landomycin T | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | 1-Hydroxy-8-{[(2S,4R,5S,6R)-4-hydroxy-5-{[(2S,4R,5R,6R)-5-hydroxy-4-{[(2S,5S,6S)-5-{[(2S,4R,5S,6R)-4-hydroxy-5-{[(2S,4R,5R,6R)-5-hydroxy-4-{[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-3-methyl-7,12-dihydrotetraphene-7,12-dione belongs to the class of organic compounds known as angucyclines. These are polyketides with a structure based on then benz[a]anthracene skeleton, with the particularity that the central ring of the anthracene moiety is a para-quinone. Landomycin T is found in Streptomyces and Streptomyces cyanogenus. It was first documented in 2011 (PMID: 21188999). Based on a literature review very few articles have been published on 1-hydroxy-8-{[(2S,4R,5S,6R)-4-hydroxy-5-{[(2S,4R,5R,6R)-5-hydroxy-4-{[(2S,5S,6S)-5-{[(2S,4R,5S,6R)-4-hydroxy-5-{[(2S,4R,5R,6R)-5-hydroxy-4-{[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-3-methyl-7,12-dihydrotetraphene-7,12-dione. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure | MOL for NP0009673 (Landomycin T)
Mrv1652307012120343D
147156 0 0 0 0 999 V2000
17.1806 -1.0080 -5.4644 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0168 -0.9179 -4.5423 C 0 0 0 0 0 0 0 0 0 0 0 0
16.1314 -0.4214 -3.2683 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0311 -0.3386 -2.4026 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2819 0.1511 -1.1874 O 0 0 0 0 0 0 0 0 0 0 0 0
13.8174 -0.7682 -2.8650 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6871 -0.6924 -2.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4454 -1.1336 -2.5417 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3539 -1.6341 -3.8228 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4648 -1.7014 -4.6154 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6935 -1.2814 -4.1741 C 0 0 0 0 0 0 0 0 0 0 0 0
14.8034 -1.3447 -4.9888 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2513 -1.0172 -1.7130 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1440 -1.4316 -2.1903 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3194 -0.4470 -0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1773 -0.3199 0.3849 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9797 -0.7618 -0.1152 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7671 -0.6088 0.5541 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5233 -0.7009 -0.2451 C 0 0 2 0 0 0 0 0 0 0 0 0
4.4812 -1.6620 0.3599 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7584 -2.9658 -0.0597 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4062 -1.5111 1.8278 C 0 0 2 0 0 0 0 0 0 0 0 0
3.5337 -0.4798 2.1653 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6774 -0.7971 3.1704 C 0 0 1 0 0 0 0 0 0 0 0 0
2.6439 0.3552 4.1385 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2520 0.4199 4.7406 C 0 0 1 0 0 0 0 0 0 0 0 0
0.3652 0.8296 3.7554 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3095 2.0096 4.0658 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.1690 2.9826 2.9774 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.1686 2.7593 1.8497 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1784 1.7027 2.1695 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.3052 1.8629 1.4058 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6870 0.7284 0.6981 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.9751 0.1392 1.2696 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.1705 0.9089 0.8270 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.2154 2.1766 1.3948 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1951 0.9710 -0.7099 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.3682 0.4096 -1.1774 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.2202 1.3435 -1.7503 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.6403 1.0094 -3.1252 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.1188 1.2180 -3.3185 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.7980 0.2535 -2.6176 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.7685 -0.4283 -3.3610 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.4564 -1.8792 -3.5702 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.6265 -2.7431 -3.2534 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.1504 -2.5115 -1.8455 C 0 0 2 0 0 0 0 0 0 0 0 0
-14.4574 -2.9386 -1.6777 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.9649 -1.0379 -1.4985 C 0 0 2 0 0 0 0 0 0 0 0 0
-13.9909 -0.4906 -0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.9546 -0.2855 -2.6850 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.3933 2.6298 -2.7823 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.5297 3.4554 -3.4964 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.0448 2.7059 -1.3293 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.3043 2.9314 -0.5325 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2871 1.6404 -0.8902 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9283 0.4180 -1.2202 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.7321 0.6739 -2.7214 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8071 1.0072 -0.6291 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6039 1.9281 3.6118 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.3451 3.2393 3.7556 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6053 1.7528 4.5077 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8584 -1.0380 5.0234 C 0 0 2 0 0 0 0 0 0 0 0 0
1.9086 -1.6033 5.7532 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6720 -1.7075 3.6782 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.7819 -1.6995 3.3144 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3647 -1.0058 2.6455 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7918 -1.2668 2.4347 C 0 0 1 0 0 0 0 0 0 0 0 0
5.9878 -2.1434 3.6497 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7110 -1.7243 1.4650 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2652 0.2446 1.6258 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4874 0.6971 2.1453 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6166 0.5432 1.3304 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5401 -0.0181 0.0901 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7652 -0.1277 -0.7272 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7721 0.2820 -0.1974 O 0 0 0 0 0 0 0 0 0 0 0 0
17.3569 -0.0563 -6.0003 H 0 0 0 0 0 0 0 0 0 0 0 0
17.0788 -1.8800 -6.1577 H 0 0 0 0 0 0 0 0 0 0 0 0
18.0649 -1.2147 -4.8323 H 0 0 0 0 0 0 0 0 0 0 0 0
17.0927 -0.0876 -2.9157 H 0 0 0 0 0 0 0 0 0 0 0 0
16.1890 0.5571 -0.8529 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3842 -1.9637 -4.1819 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4001 -2.0921 -5.6293 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6565 -1.7483 -5.9970 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8018 0.2889 1.2384 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6593 -0.9838 -1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0263 0.3134 -0.2488 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5190 -1.3383 -0.1262 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7077 -2.9730 -0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0311 -2.4578 2.3164 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8892 -1.7780 3.6495 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8127 1.3318 3.6198 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4011 0.2122 4.9460 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2361 1.0529 5.6406 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2033 2.3826 5.0020 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8471 2.8327 2.5161 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1495 4.0509 3.3034 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6618 2.4510 0.9105 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6632 3.7433 1.6724 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7959 0.6766 2.0587 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9233 -0.0484 0.8696 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9903 -0.9207 0.9041 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8950 0.1217 2.3512 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0724 0.3265 1.1188 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4085 2.0397 2.3657 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2434 2.0555 -0.9502 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6607 2.3142 -1.7738 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4375 -0.0602 -3.3302 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0591 1.5843 -3.8770 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3569 1.2541 -4.3824 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.8197 0.0385 -4.3581 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5975 -2.1640 -2.9358 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1157 -2.0841 -4.6230 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4849 -2.4720 -3.9305 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4479 -3.8155 -3.4506 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.5098 -3.0848 -1.1505 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.0644 -2.6967 -2.4017 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9553 -0.9062 -1.0572 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.5500 -0.4832 0.4593 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.8928 -1.1505 -0.4735 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.2792 0.5565 -0.7727 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4181 2.9538 -2.9461 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7111 3.3294 -4.4701 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4131 3.6046 -1.1827 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0257 3.4721 0.4186 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.8860 3.7112 -1.1102 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9055 2.0411 -0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8172 -0.6796 -1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7225 0.2506 -2.9672 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6321 1.7722 -2.9076 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5132 0.2035 -3.3307 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3778 1.1311 3.8315 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7836 3.6227 2.8307 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6620 3.9407 4.2781 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2114 3.1251 4.4750 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0846 -0.9900 5.6057 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8918 -1.1241 6.6361 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1129 -2.7370 3.7124 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8766 -1.6126 2.2135 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2350 -2.6795 3.6133 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3264 -0.8692 3.8041 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0135 -0.2175 2.6153 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5020 -3.1430 3.4594 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0420 -2.3565 3.8814 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5061 -1.6614 4.5530 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4228 0.3740 2.2780 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5309 1.1352 3.1147 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5804 0.8908 1.7130 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
4 6 2 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
8 13 1 0 0 0 0
13 14 2 0 0 0 0
13 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
20 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
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
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
34 35 1 0 0 0 0
35 36 1 0 0 0 0
35 37 1 0 0 0 0
37 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
42 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
46 47 1 0 0 0 0
46 48 1 0 0 0 0
48 49 1 0 0 0 0
48 50 1 0 0 0 0
41 51 1 0 0 0 0
51 52 1 0 0 0 0
51 53 1 0 0 0 0
53 54 1 0 0 0 0
53 55 1 0 0 0 0
37 56 1 0 0 0 0
56 57 1 0 0 0 0
56 58 1 0 0 0 0
31 59 1 0 0 0 0
59 60 1 0 0 0 0
59 61 1 0 0 0 0
26 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
64 66 1 0 0 0 0
22 67 1 0 0 0 0
67 68 1 0 0 0 0
67 69 1 0 0 0 0
16 70 1 0 0 0 0
70 71 2 0 0 0 0
71 72 1 0 0 0 0
72 73 2 0 0 0 0
73 74 1 0 0 0 0
74 75 2 0 0 0 0
12 2 1 0 0 0 0
73 15 1 0 0 0 0
11 6 1 0 0 0 0
69 18 1 0 0 0 0
74 7 1 0 0 0 0
66 24 1 0 0 0 0
61 28 1 0 0 0 0
58 33 1 0 0 0 0
55 39 1 0 0 0 0
50 43 1 0 0 0 0
1 76 1 0 0 0 0
1 77 1 0 0 0 0
1 78 1 0 0 0 0
3 79 1 0 0 0 0
5 80 1 0 0 0 0
9 81 1 0 0 0 0
10 82 1 0 0 0 0
12 83 1 0 0 0 0
18 84 1 1 0 0 0
19 85 1 0 0 0 0
19 86 1 0 0 0 0
20 87 1 6 0 0 0
21 88 1 0 0 0 0
22 89 1 1 0 0 0
24 90 1 1 0 0 0
25 91 1 0 0 0 0
25 92 1 0 0 0 0
26 93 1 1 0 0 0
28 94 1 1 0 0 0
29 95 1 0 0 0 0
29 96 1 0 0 0 0
30 97 1 0 0 0 0
30 98 1 0 0 0 0
31 99 1 1 0 0 0
33100 1 6 0 0 0
34101 1 0 0 0 0
34102 1 0 0 0 0
35103 1 1 0 0 0
36104 1 0 0 0 0
37105 1 1 0 0 0
39106 1 6 0 0 0
40107 1 0 0 0 0
40108 1 0 0 0 0
41109 1 6 0 0 0
43110 1 6 0 0 0
44111 1 0 0 0 0
44112 1 0 0 0 0
45113 1 0 0 0 0
45114 1 0 0 0 0
46115 1 1 0 0 0
47116 1 0 0 0 0
48117 1 1 0 0 0
49118 1 0 0 0 0
49119 1 0 0 0 0
49120 1 0 0 0 0
51121 1 1 0 0 0
52122 1 0 0 0 0
53123 1 6 0 0 0
54124 1 0 0 0 0
54125 1 0 0 0 0
54126 1 0 0 0 0
56127 1 6 0 0 0
57128 1 0 0 0 0
57129 1 0 0 0 0
57130 1 0 0 0 0
59131 1 1 0 0 0
60132 1 0 0 0 0
60133 1 0 0 0 0
60134 1 0 0 0 0
62135 1 1 0 0 0
63136 1 0 0 0 0
64137 1 1 0 0 0
65138 1 0 0 0 0
65139 1 0 0 0 0
65140 1 0 0 0 0
67141 1 1 0 0 0
68142 1 0 0 0 0
68143 1 0 0 0 0
68144 1 0 0 0 0
70145 1 0 0 0 0
71146 1 0 0 0 0
72147 1 0 0 0 0
M END
3D MOL for NP0009673 (Landomycin T)
RDKit 3D
147156 0 0 0 0 0 0 0 0999 V2000
17.1806 -1.0080 -5.4644 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0168 -0.9179 -4.5423 C 0 0 0 0 0 0 0 0 0 0 0 0
16.1314 -0.4214 -3.2683 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0311 -0.3386 -2.4026 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2819 0.1511 -1.1874 O 0 0 0 0 0 0 0 0 0 0 0 0
13.8174 -0.7682 -2.8650 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6871 -0.6924 -2.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4454 -1.1336 -2.5417 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3539 -1.6341 -3.8228 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4648 -1.7014 -4.6154 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6935 -1.2814 -4.1741 C 0 0 0 0 0 0 0 0 0 0 0 0
14.8034 -1.3447 -4.9888 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2513 -1.0172 -1.7130 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1440 -1.4316 -2.1903 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3194 -0.4470 -0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1773 -0.3199 0.3849 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9797 -0.7618 -0.1152 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7671 -0.6088 0.5541 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5233 -0.7009 -0.2451 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4812 -1.6620 0.3599 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7584 -2.9658 -0.0597 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4062 -1.5111 1.8278 C 0 0 2 0 0 0 0 0 0 0 0 0
3.5337 -0.4798 2.1653 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6774 -0.7971 3.1704 C 0 0 1 0 0 0 0 0 0 0 0 0
2.6439 0.3552 4.1385 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2520 0.4199 4.7406 C 0 0 1 0 0 0 0 0 0 0 0 0
0.3652 0.8296 3.7554 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3095 2.0096 4.0658 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.1690 2.9826 2.9774 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1686 2.7593 1.8497 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1784 1.7027 2.1695 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.3052 1.8629 1.4058 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6870 0.7284 0.6981 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.9751 0.1392 1.2696 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1705 0.9089 0.8270 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.2154 2.1766 1.3948 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1951 0.9710 -0.7099 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.3682 0.4096 -1.1774 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.2202 1.3435 -1.7503 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.6403 1.0094 -3.1252 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.1188 1.2180 -3.3185 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.7980 0.2535 -2.6176 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.7685 -0.4283 -3.3610 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.4564 -1.8792 -3.5702 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.6265 -2.7431 -3.2534 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.1504 -2.5115 -1.8455 C 0 0 2 0 0 0 0 0 0 0 0 0
-14.4574 -2.9386 -1.6777 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.9649 -1.0379 -1.4985 C 0 0 2 0 0 0 0 0 0 0 0 0
-13.9909 -0.4906 -0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.9546 -0.2855 -2.6850 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.3933 2.6298 -2.7823 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.5297 3.4554 -3.4964 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.0448 2.7059 -1.3293 C 0 0 1 0 0 0 0 0 0 0 0 0
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6.7110 -1.7243 1.4650 O 0 0 0 0 0 0 0 0 0 0 0 0
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10.4874 0.6971 2.1453 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6166 0.5432 1.3304 C 0 0 0 0 0 0 0 0 0 0 0 0
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12.7652 -0.1277 -0.7272 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7721 0.2820 -0.1974 O 0 0 0 0 0 0 0 0 0 0 0 0
17.3569 -0.0563 -6.0003 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.8892 -1.7780 3.6495 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8127 1.3318 3.6198 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4011 0.2122 4.9460 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2361 1.0529 5.6406 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2033 2.3826 5.0020 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8471 2.8327 2.5161 H 0 0 0 0 0 0 0 0 0 0 0 0
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10.5309 1.1352 3.1147 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5804 0.8908 1.7130 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 1 0
4 6 2 0
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7 8 2 0
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10 11 1 0
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8 13 1 0
13 14 2 0
13 15 1 0
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35103 1 1
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45114 1 0
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67141 1 1
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68143 1 0
68144 1 0
70145 1 0
71146 1 0
72147 1 0
M END
3D SDF for NP0009673 (Landomycin T)
Mrv1652307012120343D
147156 0 0 0 0 999 V2000
17.1806 -1.0080 -5.4644 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0168 -0.9179 -4.5423 C 0 0 0 0 0 0 0 0 0 0 0 0
16.1314 -0.4214 -3.2683 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0311 -0.3386 -2.4026 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2819 0.1511 -1.1874 O 0 0 0 0 0 0 0 0 0 0 0 0
13.8174 -0.7682 -2.8650 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6871 -0.6924 -2.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4454 -1.1336 -2.5417 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3539 -1.6341 -3.8228 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4648 -1.7014 -4.6154 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6935 -1.2814 -4.1741 C 0 0 0 0 0 0 0 0 0 0 0 0
14.8034 -1.3447 -4.9888 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2513 -1.0172 -1.7130 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1440 -1.4316 -2.1903 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3194 -0.4470 -0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1773 -0.3199 0.3849 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9797 -0.7618 -0.1152 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7671 -0.6088 0.5541 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5233 -0.7009 -0.2451 C 0 0 2 0 0 0 0 0 0 0 0 0
4.4812 -1.6620 0.3599 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7584 -2.9658 -0.0597 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4062 -1.5111 1.8278 C 0 0 2 0 0 0 0 0 0 0 0 0
3.5337 -0.4798 2.1653 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6774 -0.7971 3.1704 C 0 0 1 0 0 0 0 0 0 0 0 0
2.6439 0.3552 4.1385 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2520 0.4199 4.7406 C 0 0 1 0 0 0 0 0 0 0 0 0
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-0.3095 2.0096 4.0658 C 0 0 1 0 0 0 0 0 0 0 0 0
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-13.1504 -2.5115 -1.8455 C 0 0 2 0 0 0 0 0 0 0 0 0
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0.8584 -1.0380 5.0234 C 0 0 2 0 0 0 0 0 0 0 0 0
1.9086 -1.6033 5.7532 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6720 -1.7075 3.6782 C 0 0 1 0 0 0 0 0 0 0 0 0
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1.3647 -1.0058 2.6455 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7918 -1.2668 2.4347 C 0 0 1 0 0 0 0 0 0 0 0 0
5.9878 -2.1434 3.6497 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7110 -1.7243 1.4650 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2652 0.2446 1.6258 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4874 0.6971 2.1453 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6166 0.5432 1.3304 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5401 -0.0181 0.0901 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7652 -0.1277 -0.7272 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7721 0.2820 -0.1974 O 0 0 0 0 0 0 0 0 0 0 0 0
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5.6593 -0.9838 -1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0263 0.3134 -0.2488 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5190 -1.3383 -0.1262 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7077 -2.9730 -0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0311 -2.4578 2.3164 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8892 -1.7780 3.6495 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8127 1.3318 3.6198 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4011 0.2122 4.9460 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2361 1.0529 5.6406 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2033 2.3826 5.0020 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8471 2.8327 2.5161 H 0 0 0 0 0 0 0 0 0 0 0 0
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8.4228 0.3740 2.2780 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5309 1.1352 3.1147 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5804 0.8908 1.7130 H 0 0 0 0 0 0 0 0 0 0 0 0
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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
34 35 1 0 0 0 0
35 36 1 0 0 0 0
35 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 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
46 47 1 0 0 0 0
46 48 1 0 0 0 0
48 49 1 0 0 0 0
48 50 1 0 0 0 0
41 51 1 0 0 0 0
51 52 1 0 0 0 0
51 53 1 0 0 0 0
53 54 1 0 0 0 0
53 55 1 0 0 0 0
37 56 1 0 0 0 0
56 57 1 0 0 0 0
56 58 1 0 0 0 0
31 59 1 0 0 0 0
59 60 1 0 0 0 0
59 61 1 0 0 0 0
26 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
64 66 1 0 0 0 0
22 67 1 0 0 0 0
67 68 1 0 0 0 0
67 69 1 0 0 0 0
16 70 1 0 0 0 0
70 71 2 0 0 0 0
71 72 1 0 0 0 0
72 73 2 0 0 0 0
73 74 1 0 0 0 0
74 75 2 0 0 0 0
12 2 1 0 0 0 0
73 15 1 0 0 0 0
11 6 1 0 0 0 0
69 18 1 0 0 0 0
74 7 1 0 0 0 0
66 24 1 0 0 0 0
61 28 1 0 0 0 0
58 33 1 0 0 0 0
55 39 1 0 0 0 0
50 43 1 0 0 0 0
1 76 1 0 0 0 0
1 77 1 0 0 0 0
1 78 1 0 0 0 0
3 79 1 0 0 0 0
5 80 1 0 0 0 0
9 81 1 0 0 0 0
10 82 1 0 0 0 0
12 83 1 0 0 0 0
18 84 1 1 0 0 0
19 85 1 0 0 0 0
19 86 1 0 0 0 0
20 87 1 6 0 0 0
21 88 1 0 0 0 0
22 89 1 1 0 0 0
24 90 1 1 0 0 0
25 91 1 0 0 0 0
25 92 1 0 0 0 0
26 93 1 1 0 0 0
28 94 1 1 0 0 0
29 95 1 0 0 0 0
29 96 1 0 0 0 0
30 97 1 0 0 0 0
30 98 1 0 0 0 0
31 99 1 1 0 0 0
33100 1 6 0 0 0
34101 1 0 0 0 0
34102 1 0 0 0 0
35103 1 1 0 0 0
36104 1 0 0 0 0
37105 1 1 0 0 0
39106 1 6 0 0 0
40107 1 0 0 0 0
40108 1 0 0 0 0
41109 1 6 0 0 0
43110 1 6 0 0 0
44111 1 0 0 0 0
44112 1 0 0 0 0
45113 1 0 0 0 0
45114 1 0 0 0 0
46115 1 1 0 0 0
47116 1 0 0 0 0
48117 1 1 0 0 0
49118 1 0 0 0 0
49119 1 0 0 0 0
49120 1 0 0 0 0
51121 1 1 0 0 0
52122 1 0 0 0 0
53123 1 6 0 0 0
54124 1 0 0 0 0
54125 1 0 0 0 0
54126 1 0 0 0 0
56127 1 6 0 0 0
57128 1 0 0 0 0
57129 1 0 0 0 0
57130 1 0 0 0 0
59131 1 1 0 0 0
60132 1 0 0 0 0
60133 1 0 0 0 0
60134 1 0 0 0 0
62135 1 1 0 0 0
63136 1 0 0 0 0
64137 1 1 0 0 0
65138 1 0 0 0 0
65139 1 0 0 0 0
65140 1 0 0 0 0
67141 1 1 0 0 0
68142 1 0 0 0 0
68143 1 0 0 0 0
68144 1 0 0 0 0
70145 1 0 0 0 0
71146 1 0 0 0 0
72147 1 0 0 0 0
M END
> <DATABASE_ID>
NP0009673
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC1=C2C(C([H])=C([H])C3=C2C(=O)C2=C([H])C([H])=C([H])C(O[C@]4([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]5([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[C@]6([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]7([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]8([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[C@]9([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C9([H])[H])C8([H])[H])[C@]([H])(O[H])C7([H])[H])C([H])([H])C6([H])[H])C5([H])[H])[C@]([H])(O[H])C4([H])[H])=C2C3=O)=C([H])C(=C1[H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C55H72O20/c1-23-17-30-11-12-32-49(47(30)34(57)18-23)53(63)31-9-8-10-38(48(31)52(32)62)71-44-20-36(59)55(29(7)69-44)75-46-22-40(51(61)27(5)67-46)73-42-16-14-37(25(3)65-42)70-43-19-35(58)54(28(6)68-43)74-45-21-39(50(60)26(4)66-45)72-41-15-13-33(56)24(2)64-41/h8-12,17-18,24-29,33,35-37,39-46,50-51,54-61H,13-16,19-22H2,1-7H3/t24-,25-,26+,27+,28+,29+,33-,35+,36+,37-,39+,40+,41-,42-,43-,44-,45-,46-,50+,51+,54+,55+/m0/s1
> <INCHI_KEY>
JRNYSTBRLOBYJT-BAFVABHDSA-N
> <FORMULA>
C55H72O20
> <MOLECULAR_WEIGHT>
1053.161
> <EXACT_MASS>
1052.461694718
> <JCHEM_ACCEPTOR_COUNT>
20
> <JCHEM_ATOM_COUNT>
147
> <JCHEM_AVERAGE_POLARIZABILITY>
114.13593121680499
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
6
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
1-hydroxy-8-{[(2S,4R,5S,6R)-4-hydroxy-5-{[(2S,4R,5R,6R)-5-hydroxy-4-{[(2S,5S,6S)-5-{[(2S,4R,5S,6R)-4-hydroxy-5-{[(2S,4R,5R,6R)-5-hydroxy-4-{[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-3-methyl-7,12-dihydrotetraphene-7,12-dione
> <ALOGPS_LOGP>
2.57
> <JCHEM_LOGP>
5.794820963666667
> <ALOGPS_LOGS>
-4.26
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
10
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
12.816153708102885
> <JCHEM_PKA_STRONGEST_ACIDIC>
8.826177707022426
> <JCHEM_PKA_STRONGEST_BASIC>
-3.1508467822767194
> <JCHEM_POLAR_SURFACE_AREA>
266.2799999999999
> <JCHEM_REFRACTIVITY>
260.90090000000004
> <JCHEM_ROTATABLE_BOND_COUNT>
12
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
5.81e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
1-hydroxy-8-{[(2S,4R,5S,6R)-4-hydroxy-5-{[(2S,4R,5R,6R)-5-hydroxy-4-{[(2S,5S,6S)-5-{[(2S,4R,5S,6R)-4-hydroxy-5-{[(2S,4R,5R,6R)-5-hydroxy-4-{[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-3-methyltetraphene-7,12-dione
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0009673 (Landomycin T)
RDKit 3D
147156 0 0 0 0 0 0 0 0999 V2000
17.1806 -1.0080 -5.4644 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0168 -0.9179 -4.5423 C 0 0 0 0 0 0 0 0 0 0 0 0
16.1314 -0.4214 -3.2683 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0311 -0.3386 -2.4026 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2819 0.1511 -1.1874 O 0 0 0 0 0 0 0 0 0 0 0 0
13.8174 -0.7682 -2.8650 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6871 -0.6924 -2.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4454 -1.1336 -2.5417 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3539 -1.6341 -3.8228 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4648 -1.7014 -4.6154 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6935 -1.2814 -4.1741 C 0 0 0 0 0 0 0 0 0 0 0 0
14.8034 -1.3447 -4.9888 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2513 -1.0172 -1.7130 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1440 -1.4316 -2.1903 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3194 -0.4470 -0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1773 -0.3199 0.3849 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9797 -0.7618 -0.1152 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7671 -0.6088 0.5541 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5233 -0.7009 -0.2451 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4812 -1.6620 0.3599 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7584 -2.9658 -0.0597 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4062 -1.5111 1.8278 C 0 0 2 0 0 0 0 0 0 0 0 0
3.5337 -0.4798 2.1653 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6774 -0.7971 3.1704 C 0 0 1 0 0 0 0 0 0 0 0 0
2.6439 0.3552 4.1385 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2520 0.4199 4.7406 C 0 0 1 0 0 0 0 0 0 0 0 0
0.3652 0.8296 3.7554 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3095 2.0096 4.0658 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.1690 2.9826 2.9774 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1686 2.7593 1.8497 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1784 1.7027 2.1695 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.3052 1.8629 1.4058 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6870 0.7284 0.6981 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.9751 0.1392 1.2696 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1705 0.9089 0.8270 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.2154 2.1766 1.3948 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1951 0.9710 -0.7099 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.3682 0.4096 -1.1774 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.2202 1.3435 -1.7503 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.6403 1.0094 -3.1252 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.1188 1.2180 -3.3185 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.7980 0.2535 -2.6176 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.7685 -0.4283 -3.3610 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.4564 -1.8792 -3.5702 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.6265 -2.7431 -3.2534 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.1504 -2.5115 -1.8455 C 0 0 2 0 0 0 0 0 0 0 0 0
-14.4574 -2.9386 -1.6777 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.9649 -1.0379 -1.4985 C 0 0 2 0 0 0 0 0 0 0 0 0
-13.9909 -0.4906 -0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.9546 -0.2855 -2.6850 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.3933 2.6298 -2.7823 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.5297 3.4554 -3.4964 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.0448 2.7059 -1.3293 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.3043 2.9314 -0.5325 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2871 1.6404 -0.8902 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9283 0.4180 -1.2202 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.7321 0.6739 -2.7214 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8071 1.0072 -0.6291 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6039 1.9281 3.6118 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.3451 3.2393 3.7556 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6053 1.7528 4.5077 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8584 -1.0380 5.0234 C 0 0 2 0 0 0 0 0 0 0 0 0
1.9086 -1.6033 5.7532 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6720 -1.7075 3.6782 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.7819 -1.6995 3.3144 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3647 -1.0058 2.6455 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7918 -1.2668 2.4347 C 0 0 1 0 0 0 0 0 0 0 0 0
5.9878 -2.1434 3.6497 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7110 -1.7243 1.4650 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2652 0.2446 1.6258 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4874 0.6971 2.1453 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6166 0.5432 1.3304 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5401 -0.0181 0.0901 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7652 -0.1277 -0.7272 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7721 0.2820 -0.1974 O 0 0 0 0 0 0 0 0 0 0 0 0
17.3569 -0.0563 -6.0003 H 0 0 0 0 0 0 0 0 0 0 0 0
17.0788 -1.8800 -6.1577 H 0 0 0 0 0 0 0 0 0 0 0 0
18.0649 -1.2147 -4.8323 H 0 0 0 0 0 0 0 0 0 0 0 0
17.0927 -0.0876 -2.9157 H 0 0 0 0 0 0 0 0 0 0 0 0
16.1890 0.5571 -0.8529 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3842 -1.9637 -4.1819 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4001 -2.0921 -5.6293 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6565 -1.7483 -5.9970 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8018 0.2889 1.2384 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6593 -0.9838 -1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0263 0.3134 -0.2488 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5190 -1.3383 -0.1262 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7077 -2.9730 -0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0311 -2.4578 2.3164 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8892 -1.7780 3.6495 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8127 1.3318 3.6198 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4011 0.2122 4.9460 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2361 1.0529 5.6406 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2033 2.3826 5.0020 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8471 2.8327 2.5161 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1495 4.0509 3.3034 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6618 2.4510 0.9105 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6632 3.7433 1.6724 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7959 0.6766 2.0587 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9233 -0.0484 0.8696 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9903 -0.9207 0.9041 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8950 0.1217 2.3512 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0724 0.3265 1.1188 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4085 2.0397 2.3657 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2434 2.0555 -0.9502 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6607 2.3142 -1.7738 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4375 -0.0602 -3.3302 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0591 1.5843 -3.8770 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3569 1.2541 -4.3824 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.8197 0.0385 -4.3581 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5975 -2.1640 -2.9358 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1157 -2.0841 -4.6230 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4849 -2.4720 -3.9305 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4479 -3.8155 -3.4506 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.5098 -3.0848 -1.1505 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.0644 -2.6967 -2.4017 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9553 -0.9062 -1.0572 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.5500 -0.4832 0.4593 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.8928 -1.1505 -0.4735 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.2792 0.5565 -0.7727 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4181 2.9538 -2.9461 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7111 3.3294 -4.4701 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4131 3.6046 -1.1827 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0257 3.4721 0.4186 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.8860 3.7112 -1.1102 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9055 2.0411 -0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8172 -0.6796 -1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7225 0.2506 -2.9672 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6321 1.7722 -2.9076 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5132 0.2035 -3.3307 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3778 1.1311 3.8315 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7836 3.6227 2.8307 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6620 3.9407 4.2781 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2114 3.1251 4.4750 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0846 -0.9900 5.6057 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8918 -1.1241 6.6361 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1129 -2.7370 3.7124 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8766 -1.6126 2.2135 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2350 -2.6795 3.6133 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3264 -0.8692 3.8041 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0135 -0.2175 2.6153 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5020 -3.1430 3.4594 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0420 -2.3565 3.8814 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5061 -1.6614 4.5530 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4228 0.3740 2.2780 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5309 1.1352 3.1147 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5804 0.8908 1.7130 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 1 0
4 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
8 13 1 0
13 14 2 0
13 15 1 0
15 16 2 0
16 17 1 0
17 18 1 0
18 19 1 0
19 20 1 0
20 21 1 0
20 22 1 0
22 23 1 0
23 24 1 0
24 25 1 0
25 26 1 0
26 27 1 0
27 28 1 0
28 29 1 0
29 30 1 0
30 31 1 0
31 32 1 0
32 33 1 0
33 34 1 0
34 35 1 0
35 36 1 0
35 37 1 0
37 38 1 0
38 39 1 0
39 40 1 0
40 41 1 0
41 42 1 0
42 43 1 0
43 44 1 0
44 45 1 0
45 46 1 0
46 47 1 0
46 48 1 0
48 49 1 0
48 50 1 0
41 51 1 0
51 52 1 0
51 53 1 0
53 54 1 0
53 55 1 0
37 56 1 0
56 57 1 0
56 58 1 0
31 59 1 0
59 60 1 0
59 61 1 0
26 62 1 0
62 63 1 0
62 64 1 0
64 65 1 0
64 66 1 0
22 67 1 0
67 68 1 0
67 69 1 0
16 70 1 0
70 71 2 0
71 72 1 0
72 73 2 0
73 74 1 0
74 75 2 0
12 2 1 0
73 15 1 0
11 6 1 0
69 18 1 0
74 7 1 0
66 24 1 0
61 28 1 0
58 33 1 0
55 39 1 0
50 43 1 0
1 76 1 0
1 77 1 0
1 78 1 0
3 79 1 0
5 80 1 0
9 81 1 0
10 82 1 0
12 83 1 0
18 84 1 1
19 85 1 0
19 86 1 0
20 87 1 6
21 88 1 0
22 89 1 1
24 90 1 1
25 91 1 0
25 92 1 0
26 93 1 1
28 94 1 1
29 95 1 0
29 96 1 0
30 97 1 0
30 98 1 0
31 99 1 1
33100 1 6
34101 1 0
34102 1 0
35103 1 1
36104 1 0
37105 1 1
39106 1 6
40107 1 0
40108 1 0
41109 1 6
43110 1 6
44111 1 0
44112 1 0
45113 1 0
45114 1 0
46115 1 1
47116 1 0
48117 1 1
49118 1 0
49119 1 0
49120 1 0
51121 1 1
52122 1 0
53123 1 6
54124 1 0
54125 1 0
54126 1 0
56127 1 6
57128 1 0
57129 1 0
57130 1 0
59131 1 1
60132 1 0
60133 1 0
60134 1 0
62135 1 1
63136 1 0
64137 1 1
65138 1 0
65139 1 0
65140 1 0
67141 1 1
68142 1 0
68143 1 0
68144 1 0
70145 1 0
71146 1 0
72147 1 0
M END
PDB for NP0009673 (Landomycin T)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 17.181 -1.008 -5.464 0.00 0.00 C+0 HETATM 2 C UNK 0 16.017 -0.918 -4.542 0.00 0.00 C+0 HETATM 3 C UNK 0 16.131 -0.421 -3.268 0.00 0.00 C+0 HETATM 4 C UNK 0 15.031 -0.339 -2.403 0.00 0.00 C+0 HETATM 5 O UNK 0 15.282 0.151 -1.187 0.00 0.00 O+0 HETATM 6 C UNK 0 13.817 -0.768 -2.865 0.00 0.00 C+0 HETATM 7 C UNK 0 12.687 -0.692 -2.046 0.00 0.00 C+0 HETATM 8 C UNK 0 11.445 -1.134 -2.542 0.00 0.00 C+0 HETATM 9 C UNK 0 11.354 -1.634 -3.823 0.00 0.00 C+0 HETATM 10 C UNK 0 12.465 -1.701 -4.615 0.00 0.00 C+0 HETATM 11 C UNK 0 13.694 -1.281 -4.174 0.00 0.00 C+0 HETATM 12 C UNK 0 14.803 -1.345 -4.989 0.00 0.00 C+0 HETATM 13 C UNK 0 10.251 -1.017 -1.713 0.00 0.00 C+0 HETATM 14 O UNK 0 9.144 -1.432 -2.190 0.00 0.00 O+0 HETATM 15 C UNK 0 10.319 -0.447 -0.379 0.00 0.00 C+0 HETATM 16 C UNK 0 9.177 -0.320 0.385 0.00 0.00 C+0 HETATM 17 O UNK 0 7.980 -0.762 -0.115 0.00 0.00 O+0 HETATM 18 C UNK 0 6.767 -0.609 0.554 0.00 0.00 C+0 HETATM 19 C UNK 0 5.523 -0.701 -0.245 0.00 0.00 C+0 HETATM 20 C UNK 0 4.481 -1.662 0.360 0.00 0.00 C+0 HETATM 21 O UNK 0 4.758 -2.966 -0.060 0.00 0.00 O+0 HETATM 22 C UNK 0 4.406 -1.511 1.828 0.00 0.00 C+0 HETATM 23 O UNK 0 3.534 -0.480 2.165 0.00 0.00 O+0 HETATM 24 C UNK 0 2.677 -0.797 3.170 0.00 0.00 C+0 HETATM 25 C UNK 0 2.644 0.355 4.138 0.00 0.00 C+0 HETATM 26 C UNK 0 1.252 0.420 4.741 0.00 0.00 C+0 HETATM 27 O UNK 0 0.365 0.830 3.755 0.00 0.00 O+0 HETATM 28 C UNK 0 -0.310 2.010 4.066 0.00 0.00 C+0 HETATM 29 C UNK 0 -0.169 2.983 2.977 0.00 0.00 C+0 HETATM 30 C UNK 0 -1.169 2.759 1.850 0.00 0.00 C+0 HETATM 31 C UNK 0 -2.178 1.703 2.170 0.00 0.00 C+0 HETATM 32 O UNK 0 -3.305 1.863 1.406 0.00 0.00 O+0 HETATM 33 C UNK 0 -3.687 0.728 0.698 0.00 0.00 C+0 HETATM 34 C UNK 0 -4.975 0.139 1.270 0.00 0.00 C+0 HETATM 35 C UNK 0 -6.170 0.909 0.827 0.00 0.00 C+0 HETATM 36 O UNK 0 -6.215 2.177 1.395 0.00 0.00 O+0 HETATM 37 C UNK 0 -6.195 0.971 -0.710 0.00 0.00 C+0 HETATM 38 O UNK 0 -7.368 0.410 -1.177 0.00 0.00 O+0 HETATM 39 C UNK 0 -8.220 1.343 -1.750 0.00 0.00 C+0 HETATM 40 C UNK 0 -8.640 1.009 -3.125 0.00 0.00 C+0 HETATM 41 C UNK 0 -10.119 1.218 -3.318 0.00 0.00 C+0 HETATM 42 O UNK 0 -10.798 0.254 -2.618 0.00 0.00 O+0 HETATM 43 C UNK 0 -11.768 -0.428 -3.361 0.00 0.00 C+0 HETATM 44 C UNK 0 -11.456 -1.879 -3.570 0.00 0.00 C+0 HETATM 45 C UNK 0 -12.627 -2.743 -3.253 0.00 0.00 C+0 HETATM 46 C UNK 0 -13.150 -2.511 -1.845 0.00 0.00 C+0 HETATM 47 O UNK 0 -14.457 -2.939 -1.678 0.00 0.00 O+0 HETATM 48 C UNK 0 -12.965 -1.038 -1.498 0.00 0.00 C+0 HETATM 49 C UNK 0 -13.991 -0.491 -0.580 0.00 0.00 C+0 HETATM 50 O UNK 0 -12.955 -0.286 -2.685 0.00 0.00 O+0 HETATM 51 C UNK 0 -10.393 2.630 -2.782 0.00 0.00 C+0 HETATM 52 O UNK 0 -9.530 3.455 -3.496 0.00 0.00 O+0 HETATM 53 C UNK 0 -10.045 2.706 -1.329 0.00 0.00 C+0 HETATM 54 C UNK 0 -11.304 2.931 -0.533 0.00 0.00 C+0 HETATM 55 O UNK 0 -9.287 1.640 -0.890 0.00 0.00 O+0 HETATM 56 C UNK 0 -4.928 0.418 -1.220 0.00 0.00 C+0 HETATM 57 C UNK 0 -4.732 0.674 -2.721 0.00 0.00 C+0 HETATM 58 O UNK 0 -3.807 1.007 -0.629 0.00 0.00 O+0 HETATM 59 C UNK 0 -2.604 1.928 3.612 0.00 0.00 C+0 HETATM 60 C UNK 0 -3.345 3.239 3.756 0.00 0.00 C+0 HETATM 61 O UNK 0 -1.605 1.753 4.508 0.00 0.00 O+0 HETATM 62 C UNK 0 0.858 -1.038 5.023 0.00 0.00 C+0 HETATM 63 O UNK 0 1.909 -1.603 5.753 0.00 0.00 O+0 HETATM 64 C UNK 0 0.672 -1.708 3.678 0.00 0.00 C+0 HETATM 65 C UNK 0 -0.782 -1.700 3.314 0.00 0.00 C+0 HETATM 66 O UNK 0 1.365 -1.006 2.646 0.00 0.00 O+0 HETATM 67 C UNK 0 5.792 -1.267 2.435 0.00 0.00 C+0 HETATM 68 C UNK 0 5.988 -2.143 3.650 0.00 0.00 C+0 HETATM 69 O UNK 0 6.711 -1.724 1.465 0.00 0.00 O+0 HETATM 70 C UNK 0 9.265 0.245 1.626 0.00 0.00 C+0 HETATM 71 C UNK 0 10.487 0.697 2.145 0.00 0.00 C+0 HETATM 72 C UNK 0 11.617 0.543 1.330 0.00 0.00 C+0 HETATM 73 C UNK 0 11.540 -0.018 0.090 0.00 0.00 C+0 HETATM 74 C UNK 0 12.765 -0.128 -0.727 0.00 0.00 C+0 HETATM 75 O UNK 0 13.772 0.282 -0.197 0.00 0.00 O+0 HETATM 76 H UNK 0 17.357 -0.056 -6.000 0.00 0.00 H+0 HETATM 77 H UNK 0 17.079 -1.880 -6.158 0.00 0.00 H+0 HETATM 78 H UNK 0 18.065 -1.215 -4.832 0.00 0.00 H+0 HETATM 79 H UNK 0 17.093 -0.088 -2.916 0.00 0.00 H+0 HETATM 80 H UNK 0 16.189 0.557 -0.853 0.00 0.00 H+0 HETATM 81 H UNK 0 10.384 -1.964 -4.182 0.00 0.00 H+0 HETATM 82 H UNK 0 12.400 -2.092 -5.629 0.00 0.00 H+0 HETATM 83 H UNK 0 14.656 -1.748 -5.997 0.00 0.00 H+0 HETATM 84 H UNK 0 6.802 0.289 1.238 0.00 0.00 H+0 HETATM 85 H UNK 0 5.659 -0.984 -1.316 0.00 0.00 H+0 HETATM 86 H UNK 0 5.026 0.313 -0.249 0.00 0.00 H+0 HETATM 87 H UNK 0 3.519 -1.338 -0.126 0.00 0.00 H+0 HETATM 88 H UNK 0 5.708 -2.973 -0.341 0.00 0.00 H+0 HETATM 89 H UNK 0 4.031 -2.458 2.316 0.00 0.00 H+0 HETATM 90 H UNK 0 2.889 -1.778 3.650 0.00 0.00 H+0 HETATM 91 H UNK 0 2.813 1.332 3.620 0.00 0.00 H+0 HETATM 92 H UNK 0 3.401 0.212 4.946 0.00 0.00 H+0 HETATM 93 H UNK 0 1.236 1.053 5.641 0.00 0.00 H+0 HETATM 94 H UNK 0 0.203 2.383 5.002 0.00 0.00 H+0 HETATM 95 H UNK 0 0.847 2.833 2.516 0.00 0.00 H+0 HETATM 96 H UNK 0 -0.150 4.051 3.303 0.00 0.00 H+0 HETATM 97 H UNK 0 -0.662 2.451 0.911 0.00 0.00 H+0 HETATM 98 H UNK 0 -1.663 3.743 1.672 0.00 0.00 H+0 HETATM 99 H UNK 0 -1.796 0.677 2.059 0.00 0.00 H+0 HETATM 100 H UNK 0 -2.923 -0.048 0.870 0.00 0.00 H+0 HETATM 101 H UNK 0 -4.990 -0.921 0.904 0.00 0.00 H+0 HETATM 102 H UNK 0 -4.895 0.122 2.351 0.00 0.00 H+0 HETATM 103 H UNK 0 -7.072 0.327 1.119 0.00 0.00 H+0 HETATM 104 H UNK 0 -6.409 2.040 2.366 0.00 0.00 H+0 HETATM 105 H UNK 0 -6.243 2.055 -0.950 0.00 0.00 H+0 HETATM 106 H UNK 0 -7.661 2.314 -1.774 0.00 0.00 H+0 HETATM 107 H UNK 0 -8.438 -0.060 -3.330 0.00 0.00 H+0 HETATM 108 H UNK 0 -8.059 1.584 -3.877 0.00 0.00 H+0 HETATM 109 H UNK 0 -10.357 1.254 -4.382 0.00 0.00 H+0 HETATM 110 H UNK 0 -11.820 0.039 -4.358 0.00 0.00 H+0 HETATM 111 H UNK 0 -10.598 -2.164 -2.936 0.00 0.00 H+0 HETATM 112 H UNK 0 -11.116 -2.084 -4.623 0.00 0.00 H+0 HETATM 113 H UNK 0 -13.485 -2.472 -3.930 0.00 0.00 H+0 HETATM 114 H UNK 0 -12.448 -3.816 -3.451 0.00 0.00 H+0 HETATM 115 H UNK 0 -12.510 -3.085 -1.151 0.00 0.00 H+0 HETATM 116 H UNK 0 -15.064 -2.697 -2.402 0.00 0.00 H+0 HETATM 117 H UNK 0 -11.955 -0.906 -1.057 0.00 0.00 H+0 HETATM 118 H UNK 0 -13.550 -0.483 0.459 0.00 0.00 H+0 HETATM 119 H UNK 0 -14.893 -1.151 -0.474 0.00 0.00 H+0 HETATM 120 H UNK 0 -14.279 0.557 -0.773 0.00 0.00 H+0 HETATM 121 H UNK 0 -11.418 2.954 -2.946 0.00 0.00 H+0 HETATM 122 H UNK 0 -9.711 3.329 -4.470 0.00 0.00 H+0 HETATM 123 H UNK 0 -9.413 3.605 -1.183 0.00 0.00 H+0 HETATM 124 H UNK 0 -11.026 3.472 0.419 0.00 0.00 H+0 HETATM 125 H UNK 0 -11.886 3.711 -1.110 0.00 0.00 H+0 HETATM 126 H UNK 0 -11.906 2.041 -0.352 0.00 0.00 H+0 HETATM 127 H UNK 0 -4.817 -0.680 -1.111 0.00 0.00 H+0 HETATM 128 H UNK 0 -3.723 0.251 -2.967 0.00 0.00 H+0 HETATM 129 H UNK 0 -4.632 1.772 -2.908 0.00 0.00 H+0 HETATM 130 H UNK 0 -5.513 0.204 -3.331 0.00 0.00 H+0 HETATM 131 H UNK 0 -3.378 1.131 3.832 0.00 0.00 H+0 HETATM 132 H UNK 0 -3.784 3.623 2.831 0.00 0.00 H+0 HETATM 133 H UNK 0 -2.662 3.941 4.278 0.00 0.00 H+0 HETATM 134 H UNK 0 -4.211 3.125 4.475 0.00 0.00 H+0 HETATM 135 H UNK 0 -0.085 -0.990 5.606 0.00 0.00 H+0 HETATM 136 H UNK 0 1.892 -1.124 6.636 0.00 0.00 H+0 HETATM 137 H UNK 0 1.113 -2.737 3.712 0.00 0.00 H+0 HETATM 138 H UNK 0 -0.877 -1.613 2.213 0.00 0.00 H+0 HETATM 139 H UNK 0 -1.235 -2.680 3.613 0.00 0.00 H+0 HETATM 140 H UNK 0 -1.326 -0.869 3.804 0.00 0.00 H+0 HETATM 141 H UNK 0 6.013 -0.218 2.615 0.00 0.00 H+0 HETATM 142 H UNK 0 5.502 -3.143 3.459 0.00 0.00 H+0 HETATM 143 H UNK 0 7.042 -2.357 3.881 0.00 0.00 H+0 HETATM 144 H UNK 0 5.506 -1.661 4.553 0.00 0.00 H+0 HETATM 145 H UNK 0 8.423 0.374 2.278 0.00 0.00 H+0 HETATM 146 H UNK 0 10.531 1.135 3.115 0.00 0.00 H+0 HETATM 147 H UNK 0 12.580 0.891 1.713 0.00 0.00 H+0 CONECT 1 2 76 77 78 CONECT 2 1 3 12 CONECT 3 2 4 79 CONECT 4 3 5 6 CONECT 5 4 80 CONECT 6 4 7 11 CONECT 7 6 8 74 CONECT 8 7 9 13 CONECT 9 8 10 81 CONECT 10 9 11 82 CONECT 11 10 12 6 CONECT 12 11 2 83 CONECT 13 8 14 15 CONECT 14 13 CONECT 15 13 16 73 CONECT 16 15 17 70 CONECT 17 16 18 CONECT 18 17 19 69 84 CONECT 19 18 20 85 86 CONECT 20 19 21 22 87 CONECT 21 20 88 CONECT 22 20 23 67 89 CONECT 23 22 24 CONECT 24 23 25 66 90 CONECT 25 24 26 91 92 CONECT 26 25 27 62 93 CONECT 27 26 28 CONECT 28 27 29 61 94 CONECT 29 28 30 95 96 CONECT 30 29 31 97 98 CONECT 31 30 32 59 99 CONECT 32 31 33 CONECT 33 32 34 58 100 CONECT 34 33 35 101 102 CONECT 35 34 36 37 103 CONECT 36 35 104 CONECT 37 35 38 56 105 CONECT 38 37 39 CONECT 39 38 40 55 106 CONECT 40 39 41 107 108 CONECT 41 40 42 51 109 CONECT 42 41 43 CONECT 43 42 44 50 110 CONECT 44 43 45 111 112 CONECT 45 44 46 113 114 CONECT 46 45 47 48 115 CONECT 47 46 116 CONECT 48 46 49 50 117 CONECT 49 48 118 119 120 CONECT 50 48 43 CONECT 51 41 52 53 121 CONECT 52 51 122 CONECT 53 51 54 55 123 CONECT 54 53 124 125 126 CONECT 55 53 39 CONECT 56 37 57 58 127 CONECT 57 56 128 129 130 CONECT 58 56 33 CONECT 59 31 60 61 131 CONECT 60 59 132 133 134 CONECT 61 59 28 CONECT 62 26 63 64 135 CONECT 63 62 136 CONECT 64 62 65 66 137 CONECT 65 64 138 139 140 CONECT 66 64 24 CONECT 67 22 68 69 141 CONECT 68 67 142 143 144 CONECT 69 67 18 CONECT 70 16 71 145 CONECT 71 70 72 146 CONECT 72 71 73 147 CONECT 73 72 74 15 CONECT 74 73 75 7 CONECT 75 74 CONECT 76 1 CONECT 77 1 CONECT 78 1 CONECT 79 3 CONECT 80 5 CONECT 81 9 CONECT 82 10 CONECT 83 12 CONECT 84 18 CONECT 85 19 CONECT 86 19 CONECT 87 20 CONECT 88 21 CONECT 89 22 CONECT 90 24 CONECT 91 25 CONECT 92 25 CONECT 93 26 CONECT 94 28 CONECT 95 29 CONECT 96 29 CONECT 97 30 CONECT 98 30 CONECT 99 31 CONECT 100 33 CONECT 101 34 CONECT 102 34 CONECT 103 35 CONECT 104 36 CONECT 105 37 CONECT 106 39 CONECT 107 40 CONECT 108 40 CONECT 109 41 CONECT 110 43 CONECT 111 44 CONECT 112 44 CONECT 113 45 CONECT 114 45 CONECT 115 46 CONECT 116 47 CONECT 117 48 CONECT 118 49 CONECT 119 49 CONECT 120 49 CONECT 121 51 CONECT 122 52 CONECT 123 53 CONECT 124 54 CONECT 125 54 CONECT 126 54 CONECT 127 56 CONECT 128 57 CONECT 129 57 CONECT 130 57 CONECT 131 59 CONECT 132 60 CONECT 133 60 CONECT 134 60 CONECT 135 62 CONECT 136 63 CONECT 137 64 CONECT 138 65 CONECT 139 65 CONECT 140 65 CONECT 141 67 CONECT 142 68 CONECT 143 68 CONECT 144 68 CONECT 145 70 CONECT 146 71 CONECT 147 72 MASTER 0 0 0 0 0 0 0 0 147 0 312 0 END SMILES for NP0009673 (Landomycin T)[H]OC1=C2C(C([H])=C([H])C3=C2C(=O)C2=C([H])C([H])=C([H])C(O[C@]4([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]5([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[C@]6([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]7([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]8([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[C@]9([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C9([H])[H])C8([H])[H])[C@]([H])(O[H])C7([H])[H])C([H])([H])C6([H])[H])C5([H])[H])[C@]([H])(O[H])C4([H])[H])=C2C3=O)=C([H])C(=C1[H])C([H])([H])[H] INCHI for NP0009673 (Landomycin T)InChI=1S/C55H72O20/c1-23-17-30-11-12-32-49(47(30)34(57)18-23)53(63)31-9-8-10-38(48(31)52(32)62)71-44-20-36(59)55(29(7)69-44)75-46-22-40(51(61)27(5)67-46)73-42-16-14-37(25(3)65-42)70-43-19-35(58)54(28(6)68-43)74-45-21-39(50(60)26(4)66-45)72-41-15-13-33(56)24(2)64-41/h8-12,17-18,24-29,33,35-37,39-46,50-51,54-61H,13-16,19-22H2,1-7H3/t24-,25-,26+,27+,28+,29+,33-,35+,36+,37-,39+,40+,41-,42-,43-,44-,45-,46-,50+,51+,54+,55+/m0/s1 3D Structure for NP0009673 (Landomycin T) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C55H72O20 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1053.1610 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1052.46169 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | 1-hydroxy-8-{[(2S,4R,5S,6R)-4-hydroxy-5-{[(2S,4R,5R,6R)-5-hydroxy-4-{[(2S,5S,6S)-5-{[(2S,4R,5S,6R)-4-hydroxy-5-{[(2S,4R,5R,6R)-5-hydroxy-4-{[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-3-methyl-7,12-dihydrotetraphene-7,12-dione | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | 1-hydroxy-8-{[(2S,4R,5S,6R)-4-hydroxy-5-{[(2S,4R,5R,6R)-5-hydroxy-4-{[(2S,5S,6S)-5-{[(2S,4R,5S,6R)-4-hydroxy-5-{[(2S,4R,5R,6R)-5-hydroxy-4-{[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-3-methyltetraphene-7,12-dione | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | C[C@@H]1O[C@H](CC[C@@H]1O)O[C@@H]1C[C@H](O[C@@H]2[C@@H](C)O[C@H](C[C@H]2O)O[C@H]2CC[C@H](O[C@@H]3C[C@H](O[C@@H]4[C@@H](C)O[C@H](C[C@H]4O)OC4=CC=CC5=C4C(=O)C4=C(C5=O)C5=C(O)C=C(C)C=C5C=C4)O[C@H](C)[C@H]3O)O[C@H]2C)O[C@H](C)[C@H]1O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C55H72O20/c1-23-17-30-11-12-32-49(47(30)34(57)18-23)53(63)31-9-8-10-38(48(31)52(32)62)71-44-20-36(59)55(29(7)69-44)75-46-22-40(51(61)27(5)67-46)73-42-16-14-37(25(3)65-42)70-43-19-35(58)54(28(6)68-43)74-45-21-39(50(60)26(4)66-45)72-41-15-13-33(56)24(2)64-41/h8-12,17-18,24-29,33,35-37,39-46,50-51,54-61H,13-16,19-22H2,1-7H3/t24-,25-,26+,27+,28+,29+,33-,35+,36+,37-,39+,40+,41-,42-,43-,44-,45-,46-,50+,51+,54+,55+/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | JRNYSTBRLOBYJT-BAFVABHDSA-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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Belongs to the class of organic compounds known as angucyclines. These are polyketides with a structure based on then benz[a]anthracene skeleton, with the particularity that the central ring of the anthracene moiety is a para-quinone. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Kingdom | Organic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Super Class | Phenylpropanoids and polyketides | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Class | Angucyclines | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Sub Class | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Direct Parent | Angucyclines | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Alternative Parents | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Substituents |
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| Molecular Framework | Aromatic heteropolycyclic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Descriptors |
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| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA019494 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 26383922 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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