Showing NP-Card for Linearmycin C (NP0016988)
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-06 01:49:44 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:24:15 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0016988 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Linearmycin C | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Linearmycin C is found in Streptomyces sp. Mg1. Based on a literature review very few articles have been published on Linearmycin C. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0016988 (Linearmycin C)
Mrv1652307042107243D
189188 0 0 0 0 999 V2000
-27.8688 -4.4387 0.6047 C 0 0 0 0 0 0 0 0 0 0 0 0
-28.6393 -3.4365 -0.1575 C 0 0 0 0 0 0 0 0 0 0 0 0
-28.0419 -2.2791 -0.4404 C 0 0 0 0 0 0 0 0 0 0 0 0
-26.6752 -2.0591 0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0
-26.0926 -0.9180 -0.2716 C 0 0 0 0 0 0 0 0 0 0 0 0
-24.7127 -0.6049 0.1405 C 0 0 0 0 0 0 0 0 0 0 0 0
-24.1586 0.5539 -0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0
-22.7971 0.8540 0.2503 C 0 0 0 0 0 0 0 0 0 0 0 0
-22.1910 1.9882 -0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0
-20.8310 2.2889 0.3861 C 0 0 0 0 0 0 0 0 0 0 0 0
-20.2984 3.4526 0.0684 C 0 0 0 0 0 0 0 0 0 0 0 0
-18.9051 3.8235 0.4541 C 0 0 1 0 0 0 0 0 0 0 0 0
-18.2713 2.6831 1.2338 C 0 0 2 0 0 0 0 0 0 0 0 0
-16.8584 3.0159 1.5912 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.8937 2.2249 1.1501 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.4795 2.5227 1.4820 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.9055 1.3920 2.2720 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.7752 2.7105 0.1554 C 0 0 1 0 0 0 0 0 0 0 0 0
-14.2860 3.7552 -0.6001 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.2922 2.6306 0.2107 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.7758 2.8360 -1.2026 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.5995 3.6041 1.0884 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.8418 4.9302 0.7347 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.1165 3.4218 0.9336 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5295 2.3747 0.4533 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0774 2.3053 0.3511 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5295 1.2103 -0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0740 1.0384 -0.2864 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5721 -0.0620 -0.7733 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1569 -0.3508 -0.9661 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8028 -1.5164 -1.4753 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3880 -1.8933 -1.7026 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0831 -3.0483 -2.2070 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7569 -3.5487 -2.4749 C 0 0 1 0 0 0 0 0 0 0 0 0
0.3422 -2.6610 -2.0054 C 0 0 2 0 0 0 0 0 0 0 0 0
1.5655 -3.2737 -2.4250 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3725 -2.7243 -0.4631 C 0 0 1 0 0 0 0 0 0 0 0 0
0.6026 -4.2194 -0.1466 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5219 -1.9451 0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3339 -2.5115 0.7593 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7266 -0.5174 -0.2698 C 0 0 2 0 0 0 0 0 0 0 0 0
3.0632 -0.0336 0.2710 C 0 0 2 0 0 0 0 0 0 0 0 0
4.0651 -0.7962 -0.2686 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0468 0.1246 1.7452 C 0 0 2 0 0 0 0 0 0 0 0 0
4.4139 0.5542 2.2713 C 0 0 1 0 0 0 0 0 0 0 0 0
5.3632 -0.4161 1.9767 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8315 1.9042 1.7272 C 0 0 1 0 0 0 0 0 0 0 0 0
6.1977 2.2368 2.2607 C 0 0 2 0 0 0 0 0 0 0 0 0
6.5818 3.5113 1.7624 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2661 1.3147 1.7702 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2911 0.8540 0.5304 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3220 -0.0497 0.0077 C 0 0 2 0 0 0 0 0 0 0 0 0
7.8536 -1.3689 -0.4923 C 0 0 2 0 0 0 0 0 0 0 0 0
7.2311 -2.1842 0.4121 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0186 -2.1420 -1.1392 C 0 0 2 0 0 0 0 0 0 0 0 0
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9.5322 -3.1151 0.9119 O 0 0 0 0 0 0 0 0 0 0 0 0
11.1584 -3.2889 -0.7209 C 0 0 1 0 0 0 0 0 0 0 0 0
11.8280 -2.8273 -1.9843 C 0 0 1 0 0 0 0 0 0 0 0 0
10.8817 -2.7246 -3.0303 O 0 0 0 0 0 0 0 0 0 0 0 0
12.5480 -1.5212 -1.8383 C 0 0 1 0 0 0 0 0 0 0 0 0
13.6523 -1.5237 -0.8244 C 0 0 2 0 0 0 0 0 0 0 0 0
13.2729 -1.8136 0.4614 O 0 0 0 0 0 0 0 0 0 0 0 0
14.3274 -0.1769 -0.8925 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9010 0.7525 -0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4346 2.1291 0.0241 C 0 0 2 0 0 0 0 0 0 0 0 0
14.9791 2.3095 1.4267 C 0 0 2 0 0 0 0 0 0 0 0 0
15.4796 3.6085 1.4928 O 0 0 0 0 0 0 0 0 0 0 0 0
16.0876 1.3401 1.6359 C 0 0 0 0 0 0 0 0 0 0 0 0
17.0973 1.3059 0.7876 C 0 0 0 0 0 0 0 0 0 0 0 0
18.2268 0.3591 0.9513 C 0 0 1 0 0 0 0 0 0 0 0 0
18.2921 -0.5321 -0.2679 C 0 0 1 0 0 0 0 0 0 0 0 0
18.4817 0.1887 -1.4210 O 0 0 0 0 0 0 0 0 0 0 0 0
19.2106 -1.6854 -0.0793 C 0 0 2 0 0 0 0 0 0 0 0 0
20.6388 -1.3538 0.1990 C 0 0 1 0 0 0 0 0 0 0 0 0
21.3895 -2.5497 0.3726 O 0 0 0 0 0 0 0 0 0 0 0 0
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22.9273 0.5230 0.6596 C 0 0 2 0 0 0 0 0 0 0 0 0
22.2863 1.8901 0.5602 C 0 0 2 0 0 0 0 0 0 0 0 0
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-29.9932 -3.7273 -0.5705 C 0 0 0 0 0 0 0 0 0 0 0 0
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-30.5792 -4.9241 -0.2617 O 0 0 0 0 0 0 0 0 0 0 0 0
-27.0259 -4.7543 -0.0761 H 0 0 0 0 0 0 0 0 0 0 0 0
-28.4660 -5.3477 0.7968 H 0 0 0 0 0 0 0 0 0 0 0 0
-27.4007 -4.0611 1.5178 H 0 0 0 0 0 0 0 0 0 0 0 0
-28.5980 -1.5475 -0.9959 H 0 0 0 0 0 0 0 0 0 0 0 0
-26.1207 -2.7966 0.5637 H 0 0 0 0 0 0 0 0 0 0 0 0
-26.6540 -0.1642 -0.8351 H 0 0 0 0 0 0 0 0 0 0 0 0
-24.1644 -1.3521 0.6994 H 0 0 0 0 0 0 0 0 0 0 0 0
-24.7491 1.2602 -0.7156 H 0 0 0 0 0 0 0 0 0 0 0 0
-22.2408 0.1095 0.8083 H 0 0 0 0 0 0 0 0 0 0 0 0
-22.7504 2.7167 -0.5766 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.2782 1.5487 0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.9172 4.1454 -0.4947 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.3272 3.9592 -0.4653 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.8806 4.7647 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.2831 1.7532 0.6667 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.8462 2.5600 2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.6066 3.8757 2.1971 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.1289 1.3437 0.5342 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.4540 3.4323 2.1031 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.7488 0.8917 2.8280 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.2253 1.7574 3.0961 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4050 0.6170 1.6868 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.0920 1.7818 -0.4397 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.1877 3.6081 -0.9239 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.0097 1.6020 0.5447 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.6659 1.8824 -1.7394 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8852 3.4909 -1.2328 H 0 0 0 0 0 0 0 0 0 0 0 0
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-11.8124 3.4788 2.1656 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4224 5.3522 1.4282 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4631 4.2522 1.2542 H 0 0 0 0 0 0 0 0 0 0 0 0
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-7.4799 3.1298 0.6703 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2084 0.4106 -0.4445 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4200 1.8324 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3147 -0.8295 -1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3903 0.3571 -0.7056 H 0 0 0 0 0 0 0 0 0 0 0 0
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-1.6270 -1.1727 -1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9237 -3.7312 -2.4627 H 0 0 0 0 0 0 0 0 0 0 0 0
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-0.5743 -2.4513 -0.0361 H 0 0 0 0 0 0 0 0 0 0 0 0
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-0.3889 -4.6525 0.0327 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0883 -4.7344 -0.9796 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9506 0.1336 0.2123 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6518 -0.2847 -1.3528 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1251 1.0370 -0.1604 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1091 -0.6372 -1.2466 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8154 -0.8282 2.2469 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2650 0.8438 2.0236 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3304 0.6407 3.3651 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0171 -1.3214 1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7637 2.0009 0.6462 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1196 2.6443 2.1691 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2478 2.2969 3.3575 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5563 3.5770 1.7729 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0412 1.0161 2.4572 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4657 1.1981 -0.1166 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0730 -0.2324 0.8332 H 0 0 0 0 0 0 0 0 0 0 0 0
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7.1305 -1.2436 -1.3563 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5126 -2.0310 1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0
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13.8772 -1.4775 1.1445 H 0 0 0 0 0 0 0 0 0 0 0 0
15.1190 0.0457 -1.5731 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0956 0.5058 0.6287 H 0 0 0 0 0 0 0 0 0 0 0 0
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15.2520 2.3315 -0.6929 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1810 2.1610 2.1916 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0098 4.2260 0.8726 H 0 0 0 0 0 0 0 0 0 0 0 0
16.0469 0.6723 2.4895 H 0 0 0 0 0 0 0 0 0 0 0 0
17.1124 1.9766 -0.0419 H 0 0 0 0 0 0 0 0 0 0 0 0
19.1297 0.9237 1.1577 H 0 0 0 0 0 0 0 0 0 0 0 0
18.0293 -0.3257 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0
17.2522 -0.9751 -0.3554 H 0 0 0 0 0 0 0 0 0 0 0 0
18.4808 1.1459 -1.2663 H 0 0 0 0 0 0 0 0 0 0 0 0
19.1755 -2.2922 -1.0254 H 0 0 0 0 0 0 0 0 0 0 0 0
18.7741 -2.3619 0.6931 H 0 0 0 0 0 0 0 0 0 0 0 0
20.7114 -0.7665 1.1246 H 0 0 0 0 0 0 0 0 0 0 0 0
20.7952 -3.3368 0.3376 H 0 0 0 0 0 0 0 0 0 0 0 0
20.7433 0.3738 -1.1592 H 0 0 0 0 0 0 0 0 0 0 0 0
21.2749 -1.1807 -1.8334 H 0 0 0 0 0 0 0 0 0 0 0 0
23.2800 0.1650 -1.4253 H 0 0 0 0 0 0 0 0 0 0 0 0
23.2077 -1.2818 -0.4048 H 0 0 0 0 0 0 0 0 0 0 0 0
24.0183 0.6463 0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0
22.5178 0.0411 1.5701 H 0 0 0 0 0 0 0 0 0 0 0 0
22.5276 2.4506 1.4914 H 0 0 0 0 0 0 0 0 0 0 0 0
21.1991 1.8176 0.4795 H 0 0 0 0 0 0 0 0 0 0 0 0
22.1853 2.7493 -1.3347 H 0 0 0 0 0 0 0 0 0 0 0 0
23.6913 2.1087 -0.9333 H 0 0 0 0 0 0 0 0 0 0 0 0
-31.4508 -5.2750 -0.6365 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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82 83 2 0 0 0 0
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1 85 1 0 0 0 0
1 86 1 0 0 0 0
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3 88 1 0 0 0 0
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12 98 1 0 0 0 0
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13100 1 0 0 0 0
14101 1 0 0 0 0
15102 1 0 0 0 0
16103 1 1 0 0 0
17104 1 0 0 0 0
17105 1 0 0 0 0
17106 1 0 0 0 0
18107 1 6 0 0 0
19108 1 0 0 0 0
20109 1 1 0 0 0
21110 1 0 0 0 0
21111 1 0 0 0 0
21112 1 0 0 0 0
22113 1 1 0 0 0
23114 1 0 0 0 0
24115 1 0 0 0 0
25116 1 0 0 0 0
26117 1 0 0 0 0
27118 1 0 0 0 0
28119 1 0 0 0 0
29120 1 0 0 0 0
30121 1 0 0 0 0
31122 1 0 0 0 0
32123 1 0 0 0 0
33124 1 0 0 0 0
34125 1 0 0 0 0
34126 1 0 0 0 0
35127 1 1 0 0 0
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37129 1 1 0 0 0
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41133 1 0 0 0 0
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44138 1 0 0 0 0
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79184 1 0 0 0 0
80185 1 0 0 0 0
80186 1 0 0 0 0
81187 1 0 0 0 0
81188 1 0 0 0 0
84189 1 0 0 0 0
M END
3D MOL for NP0016988 (Linearmycin C)
RDKit 3D
189188 0 0 0 0 0 0 0 0999 V2000
-27.8688 -4.4387 0.6047 C 0 0 0 0 0 0 0 0 0 0 0 0
-28.6393 -3.4365 -0.1575 C 0 0 0 0 0 0 0 0 0 0 0 0
-28.0419 -2.2791 -0.4404 C 0 0 0 0 0 0 0 0 0 0 0 0
-26.6752 -2.0591 0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0
-26.0926 -0.9180 -0.2716 C 0 0 0 0 0 0 0 0 0 0 0 0
-24.7127 -0.6049 0.1405 C 0 0 0 0 0 0 0 0 0 0 0 0
-24.1586 0.5539 -0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0
-22.7971 0.8540 0.2503 C 0 0 0 0 0 0 0 0 0 0 0 0
-22.1910 1.9882 -0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0
-20.8310 2.2889 0.3861 C 0 0 0 0 0 0 0 0 0 0 0 0
-20.2984 3.4526 0.0684 C 0 0 0 0 0 0 0 0 0 0 0 0
-18.9051 3.8235 0.4541 C 0 0 0 0 0 0 0 0 0 0 0 0
-18.2713 2.6831 1.2338 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.8584 3.0159 1.5912 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.8937 2.2249 1.1501 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.4795 2.5227 1.4820 C 0 0 1 0 0 0 0 0 0 0 0 0
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84189 1 0
M END
3D SDF for NP0016988 (Linearmycin C)
Mrv1652307042107243D
189188 0 0 0 0 999 V2000
-27.8688 -4.4387 0.6047 C 0 0 0 0 0 0 0 0 0 0 0 0
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-24.7127 -0.6049 0.1405 C 0 0 0 0 0 0 0 0 0 0 0 0
-24.1586 0.5539 -0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0
-22.7971 0.8540 0.2503 C 0 0 0 0 0 0 0 0 0 0 0 0
-22.1910 1.9882 -0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0
-20.8310 2.2889 0.3861 C 0 0 0 0 0 0 0 0 0 0 0 0
-20.2984 3.4526 0.0684 C 0 0 0 0 0 0 0 0 0 0 0 0
-18.9051 3.8235 0.4541 C 0 0 1 0 0 0 0 0 0 0 0 0
-18.2713 2.6831 1.2338 C 0 0 2 0 0 0 0 0 0 0 0 0
-16.8584 3.0159 1.5912 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.8937 2.2249 1.1501 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.4795 2.5227 1.4820 C 0 0 1 0 0 0 0 0 0 0 0 0
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3.0468 0.1246 1.7452 C 0 0 2 0 0 0 0 0 0 0 0 0
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5.3632 -0.4161 1.9767 O 0 0 0 0 0 0 0 0 0 0 0 0
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6.1977 2.2368 2.2607 C 0 0 2 0 0 0 0 0 0 0 0 0
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14.9791 2.3095 1.4267 C 0 0 2 0 0 0 0 0 0 0 0 0
15.4796 3.6085 1.4928 O 0 0 0 0 0 0 0 0 0 0 0 0
16.0876 1.3401 1.6359 C 0 0 0 0 0 0 0 0 0 0 0 0
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18.2921 -0.5321 -0.2679 C 0 0 1 0 0 0 0 0 0 0 0 0
18.4817 0.1887 -1.4210 O 0 0 0 0 0 0 0 0 0 0 0 0
19.2106 -1.6854 -0.0793 C 0 0 2 0 0 0 0 0 0 0 0 0
20.6388 -1.3538 0.1990 C 0 0 1 0 0 0 0 0 0 0 0 0
21.3895 -2.5497 0.3726 O 0 0 0 0 0 0 0 0 0 0 0 0
21.2895 -0.5593 -0.9198 C 0 0 2 0 0 0 0 0 0 0 0 0
22.7346 -0.2811 -0.5776 C 0 0 2 0 0 0 0 0 0 0 0 0
22.9273 0.5230 0.6596 C 0 0 2 0 0 0 0 0 0 0 0 0
22.2863 1.8901 0.5602 C 0 0 2 0 0 0 0 0 0 0 0 0
22.8712 2.6367 -0.5421 N 0 0 2 0 0 0 0 0 0 0 0 0
-29.9932 -3.7273 -0.5705 C 0 0 0 0 0 0 0 0 0 0 0 0
-30.6368 -2.8677 -1.2201 O 0 0 0 0 0 0 0 0 0 0 0 0
-30.5792 -4.9241 -0.2617 O 0 0 0 0 0 0 0 0 0 0 0 0
-27.0259 -4.7543 -0.0761 H 0 0 0 0 0 0 0 0 0 0 0 0
-28.4660 -5.3477 0.7968 H 0 0 0 0 0 0 0 0 0 0 0 0
-27.4007 -4.0611 1.5178 H 0 0 0 0 0 0 0 0 0 0 0 0
-28.5980 -1.5475 -0.9959 H 0 0 0 0 0 0 0 0 0 0 0 0
-26.1207 -2.7966 0.5637 H 0 0 0 0 0 0 0 0 0 0 0 0
-26.6540 -0.1642 -0.8351 H 0 0 0 0 0 0 0 0 0 0 0 0
-24.1644 -1.3521 0.6994 H 0 0 0 0 0 0 0 0 0 0 0 0
-24.7491 1.2602 -0.7156 H 0 0 0 0 0 0 0 0 0 0 0 0
-22.2408 0.1095 0.8083 H 0 0 0 0 0 0 0 0 0 0 0 0
-22.7504 2.7167 -0.5766 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.2782 1.5487 0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.9172 4.1454 -0.4947 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.3272 3.9592 -0.4653 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.8806 4.7647 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.2831 1.7532 0.6667 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.8462 2.5600 2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.6066 3.8757 2.1971 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.1289 1.3437 0.5342 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.4540 3.4323 2.1031 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.7488 0.8917 2.8280 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.2253 1.7574 3.0961 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4050 0.6170 1.6868 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.0920 1.7818 -0.4397 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.1877 3.6081 -0.9239 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.0097 1.6020 0.5447 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.6659 1.8824 -1.7394 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8852 3.4909 -1.2328 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.5582 3.4105 -1.7713 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.8124 3.4788 2.1656 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4224 5.3522 1.4282 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4631 4.2522 1.2542 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1522 1.5431 0.1233 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4799 3.1298 0.6703 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2084 0.4106 -0.4445 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4200 1.8324 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3147 -0.8295 -1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3903 0.3571 -0.7056 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5617 -2.2610 -1.7546 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6270 -1.1727 -1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9237 -3.7312 -2.4627 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6746 -4.5763 -1.9724 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6093 -3.8326 -3.5610 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3449 -1.6397 -2.3098 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8002 -2.7704 -3.2682 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5743 -2.4513 -0.0361 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1864 -4.2977 0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3889 -4.6525 0.0327 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0883 -4.7344 -0.9796 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9506 0.1336 0.2123 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6518 -0.2847 -1.3528 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1251 1.0370 -0.1604 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1091 -0.6372 -1.2466 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8154 -0.8282 2.2469 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2650 0.8438 2.0236 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3304 0.6407 3.3651 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0171 -1.3214 1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7637 2.0009 0.6462 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1196 2.6443 2.1691 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2478 2.2969 3.3575 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5563 3.5770 1.7729 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0412 1.0161 2.4572 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4657 1.1981 -0.1166 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0730 -0.2324 0.8332 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9204 0.4326 -0.8139 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1305 -1.2436 -1.3563 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5126 -2.0310 1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4203 -1.4601 -1.9444 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6978 -3.0647 -1.6223 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5674 -1.4646 0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9027 -2.7967 1.7536 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9021 -3.5154 0.0603 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6445 -4.2804 -0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5507 -3.6024 -2.3041 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2569 -3.0031 -3.8916 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9680 -1.2735 -2.8611 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8136 -0.6874 -1.6259 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4316 -2.2599 -1.1158 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8772 -1.4775 1.1445 H 0 0 0 0 0 0 0 0 0 0 0 0
15.1190 0.0457 -1.5731 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0956 0.5058 0.6287 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6147 2.8898 -0.1468 H 0 0 0 0 0 0 0 0 0 0 0 0
15.2520 2.3315 -0.6929 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1810 2.1610 2.1916 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0098 4.2260 0.8726 H 0 0 0 0 0 0 0 0 0 0 0 0
16.0469 0.6723 2.4895 H 0 0 0 0 0 0 0 0 0 0 0 0
17.1124 1.9766 -0.0419 H 0 0 0 0 0 0 0 0 0 0 0 0
19.1297 0.9237 1.1577 H 0 0 0 0 0 0 0 0 0 0 0 0
18.0293 -0.3257 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0
17.2522 -0.9751 -0.3554 H 0 0 0 0 0 0 0 0 0 0 0 0
18.4808 1.1459 -1.2663 H 0 0 0 0 0 0 0 0 0 0 0 0
19.1755 -2.2922 -1.0254 H 0 0 0 0 0 0 0 0 0 0 0 0
18.7741 -2.3619 0.6931 H 0 0 0 0 0 0 0 0 0 0 0 0
20.7114 -0.7665 1.1246 H 0 0 0 0 0 0 0 0 0 0 0 0
20.7952 -3.3368 0.3376 H 0 0 0 0 0 0 0 0 0 0 0 0
20.7433 0.3738 -1.1592 H 0 0 0 0 0 0 0 0 0 0 0 0
21.2749 -1.1807 -1.8334 H 0 0 0 0 0 0 0 0 0 0 0 0
23.2800 0.1650 -1.4253 H 0 0 0 0 0 0 0 0 0 0 0 0
23.2077 -1.2818 -0.4048 H 0 0 0 0 0 0 0 0 0 0 0 0
24.0183 0.6463 0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0
22.5178 0.0411 1.5701 H 0 0 0 0 0 0 0 0 0 0 0 0
22.5276 2.4506 1.4914 H 0 0 0 0 0 0 0 0 0 0 0 0
21.1991 1.8176 0.4795 H 0 0 0 0 0 0 0 0 0 0 0 0
22.1853 2.7493 -1.3347 H 0 0 0 0 0 0 0 0 0 0 0 0
23.6913 2.1087 -0.9333 H 0 0 0 0 0 0 0 0 0 0 0 0
-31.4508 -5.2750 -0.6365 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 2 0 0 0 0
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6 7 2 0 0 0 0
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8 9 2 0 0 0 0
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10 11 2 0 0 0 0
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12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
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18 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
22 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 32 1 0 0 0 0
32 33 2 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
37 39 1 0 0 0 0
39 40 2 0 0 0 0
39 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
42 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
45 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
48 50 1 0 0 0 0
50 51 2 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
53 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
56 58 1 0 0 0 0
58 59 1 0 0 0 0
59 60 1 0 0 0 0
59 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
64 65 2 0 0 0 0
65 66 1 0 0 0 0
66 67 1 0 0 0 0
67 68 1 0 0 0 0
67 69 1 0 0 0 0
69 70 2 0 0 0 0
70 71 1 0 0 0 0
71 72 1 0 0 0 0
72 73 1 0 0 0 0
72 74 1 0 0 0 0
74 75 1 0 0 0 0
75 76 1 0 0 0 0
75 77 1 0 0 0 0
77 78 1 0 0 0 0
78 79 1 0 0 0 0
79 80 1 0 0 0 0
80 81 1 0 0 0 0
2 82 1 0 0 0 0
82 83 2 0 0 0 0
82 84 1 0 0 0 0
1 85 1 0 0 0 0
1 86 1 0 0 0 0
1 87 1 0 0 0 0
3 88 1 0 0 0 0
4 89 1 0 0 0 0
5 90 1 0 0 0 0
6 91 1 0 0 0 0
7 92 1 0 0 0 0
8 93 1 0 0 0 0
9 94 1 0 0 0 0
10 95 1 0 0 0 0
11 96 1 0 0 0 0
12 97 1 0 0 0 0
12 98 1 0 0 0 0
13 99 1 0 0 0 0
13100 1 0 0 0 0
14101 1 0 0 0 0
15102 1 0 0 0 0
16103 1 1 0 0 0
17104 1 0 0 0 0
17105 1 0 0 0 0
17106 1 0 0 0 0
18107 1 6 0 0 0
19108 1 0 0 0 0
20109 1 1 0 0 0
21110 1 0 0 0 0
21111 1 0 0 0 0
21112 1 0 0 0 0
22113 1 1 0 0 0
23114 1 0 0 0 0
24115 1 0 0 0 0
25116 1 0 0 0 0
26117 1 0 0 0 0
27118 1 0 0 0 0
28119 1 0 0 0 0
29120 1 0 0 0 0
30121 1 0 0 0 0
31122 1 0 0 0 0
32123 1 0 0 0 0
33124 1 0 0 0 0
34125 1 0 0 0 0
34126 1 0 0 0 0
35127 1 1 0 0 0
36128 1 0 0 0 0
37129 1 1 0 0 0
38130 1 0 0 0 0
38131 1 0 0 0 0
38132 1 0 0 0 0
41133 1 0 0 0 0
41134 1 0 0 0 0
42135 1 6 0 0 0
43136 1 0 0 0 0
44137 1 0 0 0 0
44138 1 0 0 0 0
45139 1 1 0 0 0
46140 1 0 0 0 0
47141 1 0 0 0 0
47142 1 0 0 0 0
48143 1 1 0 0 0
49144 1 0 0 0 0
50145 1 0 0 0 0
51146 1 0 0 0 0
52147 1 0 0 0 0
52148 1 0 0 0 0
53149 1 6 0 0 0
54150 1 0 0 0 0
55151 1 0 0 0 0
55152 1 0 0 0 0
56153 1 1 0 0 0
57154 1 0 0 0 0
58155 1 0 0 0 0
58156 1 0 0 0 0
59157 1 6 0 0 0
60158 1 0 0 0 0
61159 1 0 0 0 0
61160 1 0 0 0 0
62161 1 6 0 0 0
63162 1 0 0 0 0
64163 1 0 0 0 0
65164 1 0 0 0 0
66165 1 0 0 0 0
66166 1 0 0 0 0
67167 1 1 0 0 0
68168 1 0 0 0 0
69169 1 0 0 0 0
70170 1 0 0 0 0
71171 1 0 0 0 0
71172 1 0 0 0 0
72173 1 6 0 0 0
73174 1 0 0 0 0
74175 1 0 0 0 0
74176 1 0 0 0 0
75177 1 1 0 0 0
76178 1 0 0 0 0
77179 1 0 0 0 0
77180 1 0 0 0 0
78181 1 0 0 0 0
78182 1 0 0 0 0
79183 1 0 0 0 0
79184 1 0 0 0 0
80185 1 0 0 0 0
80186 1 0 0 0 0
81187 1 0 0 0 0
81188 1 0 0 0 0
84189 1 0 0 0 0
M END
> <DATABASE_ID>
NP0016988
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC(=O)C(=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])([H])C([H])([H])C(\[H])=C(/[H])[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])([H])[C@]([H])(O[H])[C@]([H])(C(=O)C([H])([H])[C@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])C([H])([H])[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])[C@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])C([H])([H])[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])[C@@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])[H])\C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C67H105NO16/c1-49(30-21-17-13-9-6-5-7-10-14-18-22-31-50(2)67(83)84)66(82)52(4)64(80)40-24-20-16-12-8-11-15-19-23-39-63(79)51(3)65(81)48-62(78)47-61(77)45-58(74)38-29-37-57(73)44-60(76)46-59(75)43-56(72)36-28-34-53(69)33-27-35-55(71)42-54(70)32-25-26-41-68/h5-12,14-16,18-24,27-31,33,36,38,40,49,51-64,66,69-80,82H,13,17,25-26,32,34-35,37,39,41-48,68H2,1-4H3,(H,83,84)/b7-5+,9-6+,12-8+,14-10+,15-11+,20-16+,22-18+,23-19+,30-21+,33-27+,36-28+,38-29+,40-24+,50-31+/t49-,51-,52+,53-,54+,55-,56-,57+,58-,59+,60-,61+,62-,63+,64-,66-/m1/s1
> <INCHI_KEY>
UDHUSHDWZRJLRJ-SGLVRUAKSA-N
> <FORMULA>
C67H105NO16
> <MOLECULAR_WEIGHT>
1180.568
> <EXACT_MASS>
1179.743336305
> <JCHEM_ACCEPTOR_COUNT>
17
> <JCHEM_ATOM_COUNT>
189
> <JCHEM_AVERAGE_POLARIZABILITY>
140.01407345925205
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
15
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2E,4E,6E,8E,10E,14E,16R,17R,18S,19R,20E,22E,24E,26E,28E,31S,32R,35R,37R,39S,40E,43S,45R,47R,49S,50E,53S,54E,57R,59S)-63-amino-17,19,31,35,37,39,43,45,47,49,53,57,59-tridecahydroxy-2,16,18,32-tetramethyl-33-oxotrihexaconta-2,4,6,8,10,14,20,22,24,26,28,40,50,54-tetradecaenoic acid
> <ALOGPS_LOGP>
0.61
> <JCHEM_LOGP>
1.63870547560818
> <ALOGPS_LOGS>
-5.47
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
0
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
13.926987820435922
> <JCHEM_PKA_STRONGEST_ACIDIC>
4.589771832622253
> <JCHEM_PKA_STRONGEST_BASIC>
10.205368644187672
> <JCHEM_POLAR_SURFACE_AREA>
343.37999999999994
> <JCHEM_REFRACTIVITY>
351.4611999999999
> <JCHEM_ROTATABLE_BOND_COUNT>
48
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
4.03e-03 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(2E,4E,6E,8E,10E,14E,16R,17R,18S,19R,20E,22E,24E,26E,28E,31S,32R,35R,37R,39S,40E,43S,45R,47R,49S,50E,53S,54E,57R,59S)-63-amino-17,19,31,35,37,39,43,45,47,49,53,57,59-tridecahydroxy-2,16,18,32-tetramethyl-33-oxotrihexaconta-2,4,6,8,10,14,20,22,24,26,28,40,50,54-tetradecaenoic acid
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0016988 (Linearmycin C)
RDKit 3D
189188 0 0 0 0 0 0 0 0999 V2000
-27.8688 -4.4387 0.6047 C 0 0 0 0 0 0 0 0 0 0 0 0
-28.6393 -3.4365 -0.1575 C 0 0 0 0 0 0 0 0 0 0 0 0
-28.0419 -2.2791 -0.4404 C 0 0 0 0 0 0 0 0 0 0 0 0
-26.6752 -2.0591 0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0
-26.0926 -0.9180 -0.2716 C 0 0 0 0 0 0 0 0 0 0 0 0
-24.7127 -0.6049 0.1405 C 0 0 0 0 0 0 0 0 0 0 0 0
-24.1586 0.5539 -0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0
-22.7971 0.8540 0.2503 C 0 0 0 0 0 0 0 0 0 0 0 0
-22.1910 1.9882 -0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0
-20.8310 2.2889 0.3861 C 0 0 0 0 0 0 0 0 0 0 0 0
-20.2984 3.4526 0.0684 C 0 0 0 0 0 0 0 0 0 0 0 0
-18.9051 3.8235 0.4541 C 0 0 0 0 0 0 0 0 0 0 0 0
-18.2713 2.6831 1.2338 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.8584 3.0159 1.5912 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.8937 2.2249 1.1501 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.4795 2.5227 1.4820 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.9055 1.3920 2.2720 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.7752 2.7105 0.1554 C 0 0 1 0 0 0 0 0 0 0 0 0
-14.2860 3.7552 -0.6001 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.2922 2.6306 0.2107 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.7758 2.8360 -1.2026 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.5995 3.6041 1.0884 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.8418 4.9302 0.7347 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.1165 3.4218 0.9336 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5295 2.3747 0.4533 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0774 2.3053 0.3511 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5295 1.2103 -0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0740 1.0384 -0.2864 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5721 -0.0620 -0.7733 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1569 -0.3508 -0.9661 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8028 -1.5164 -1.4753 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3880 -1.8933 -1.7026 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0831 -3.0483 -2.2070 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7569 -3.5487 -2.4749 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3422 -2.6610 -2.0054 C 0 0 2 0 0 0 0 0 0 0 0 0
1.5655 -3.2737 -2.4250 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3725 -2.7243 -0.4631 C 0 0 1 0 0 0 0 0 0 0 0 0
0.6026 -4.2194 -0.1466 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5219 -1.9451 0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3339 -2.5115 0.7593 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7266 -0.5174 -0.2698 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0632 -0.0336 0.2710 C 0 0 2 0 0 0 0 0 0 0 0 0
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M END
PDB for NP0016988 (Linearmycin C)HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 -27.869 -4.439 0.605 0.00 0.00 C+0 HETATM 2 C UNK 0 -28.639 -3.437 -0.158 0.00 0.00 C+0 HETATM 3 C UNK 0 -28.042 -2.279 -0.440 0.00 0.00 C+0 HETATM 4 C UNK 0 -26.675 -2.059 0.008 0.00 0.00 C+0 HETATM 5 C UNK 0 -26.093 -0.918 -0.272 0.00 0.00 C+0 HETATM 6 C UNK 0 -24.713 -0.605 0.141 0.00 0.00 C+0 HETATM 7 C UNK 0 -24.159 0.554 -0.160 0.00 0.00 C+0 HETATM 8 C UNK 0 -22.797 0.854 0.250 0.00 0.00 C+0 HETATM 9 C UNK 0 -22.191 1.988 -0.021 0.00 0.00 C+0 HETATM 10 C UNK 0 -20.831 2.289 0.386 0.00 0.00 C+0 HETATM 11 C UNK 0 -20.298 3.453 0.068 0.00 0.00 C+0 HETATM 12 C UNK 0 -18.905 3.824 0.454 0.00 0.00 C+0 HETATM 13 C UNK 0 -18.271 2.683 1.234 0.00 0.00 C+0 HETATM 14 C UNK 0 -16.858 3.016 1.591 0.00 0.00 C+0 HETATM 15 C UNK 0 -15.894 2.225 1.150 0.00 0.00 C+0 HETATM 16 C UNK 0 -14.479 2.523 1.482 0.00 0.00 C+0 HETATM 17 C UNK 0 -13.906 1.392 2.272 0.00 0.00 C+0 HETATM 18 C UNK 0 -13.775 2.711 0.155 0.00 0.00 C+0 HETATM 19 O UNK 0 -14.286 3.755 -0.600 0.00 0.00 O+0 HETATM 20 C UNK 0 -12.292 2.631 0.211 0.00 0.00 C+0 HETATM 21 C UNK 0 -11.776 2.836 -1.203 0.00 0.00 C+0 HETATM 22 C UNK 0 -11.600 3.604 1.088 0.00 0.00 C+0 HETATM 23 O UNK 0 -11.842 4.930 0.735 0.00 0.00 O+0 HETATM 24 C UNK 0 -10.117 3.422 0.934 0.00 0.00 C+0 HETATM 25 C UNK 0 -9.530 2.375 0.453 0.00 0.00 C+0 HETATM 26 C UNK 0 -8.077 2.305 0.351 0.00 0.00 C+0 HETATM 27 C UNK 0 -7.529 1.210 -0.139 0.00 0.00 C+0 HETATM 28 C UNK 0 -6.074 1.038 -0.286 0.00 0.00 C+0 HETATM 29 C UNK 0 -5.572 -0.062 -0.773 0.00 0.00 C+0 HETATM 30 C UNK 0 -4.157 -0.351 -0.966 0.00 0.00 C+0 HETATM 31 C UNK 0 -3.803 -1.516 -1.475 0.00 0.00 C+0 HETATM 32 C UNK 0 -2.388 -1.893 -1.703 0.00 0.00 C+0 HETATM 33 C UNK 0 -2.083 -3.048 -2.207 0.00 0.00 C+0 HETATM 34 C UNK 0 -0.757 -3.549 -2.475 0.00 0.00 C+0 HETATM 35 C UNK 0 0.342 -2.661 -2.005 0.00 0.00 C+0 HETATM 36 O UNK 0 1.565 -3.274 -2.425 0.00 0.00 O+0 HETATM 37 C UNK 0 0.373 -2.724 -0.463 0.00 0.00 C+0 HETATM 38 C UNK 0 0.603 -4.219 -0.147 0.00 0.00 C+0 HETATM 39 C UNK 0 1.522 -1.945 0.049 0.00 0.00 C+0 HETATM 40 O UNK 0 2.334 -2.511 0.759 0.00 0.00 O+0 HETATM 41 C UNK 0 1.727 -0.517 -0.270 0.00 0.00 C+0 HETATM 42 C UNK 0 3.063 -0.034 0.271 0.00 0.00 C+0 HETATM 43 O UNK 0 4.065 -0.796 -0.269 0.00 0.00 O+0 HETATM 44 C UNK 0 3.047 0.125 1.745 0.00 0.00 C+0 HETATM 45 C UNK 0 4.414 0.554 2.271 0.00 0.00 C+0 HETATM 46 O UNK 0 5.363 -0.416 1.977 0.00 0.00 O+0 HETATM 47 C UNK 0 4.832 1.904 1.727 0.00 0.00 C+0 HETATM 48 C UNK 0 6.198 2.237 2.261 0.00 0.00 C+0 HETATM 49 O UNK 0 6.582 3.511 1.762 0.00 0.00 O+0 HETATM 50 C UNK 0 7.266 1.315 1.770 0.00 0.00 C+0 HETATM 51 C UNK 0 7.291 0.854 0.530 0.00 0.00 C+0 HETATM 52 C UNK 0 8.322 -0.050 0.008 0.00 0.00 C+0 HETATM 53 C UNK 0 7.854 -1.369 -0.492 0.00 0.00 C+0 HETATM 54 O UNK 0 7.231 -2.184 0.412 0.00 0.00 O+0 HETATM 55 C UNK 0 9.019 -2.142 -1.139 0.00 0.00 C+0 HETATM 56 C UNK 0 10.118 -2.375 -0.165 0.00 0.00 C+0 HETATM 57 O UNK 0 9.532 -3.115 0.912 0.00 0.00 O+0 HETATM 58 C UNK 0 11.158 -3.289 -0.721 0.00 0.00 C+0 HETATM 59 C UNK 0 11.828 -2.827 -1.984 0.00 0.00 C+0 HETATM 60 O UNK 0 10.882 -2.725 -3.030 0.00 0.00 O+0 HETATM 61 C UNK 0 12.548 -1.521 -1.838 0.00 0.00 C+0 HETATM 62 C UNK 0 13.652 -1.524 -0.824 0.00 0.00 C+0 HETATM 63 O UNK 0 13.273 -1.814 0.461 0.00 0.00 O+0 HETATM 64 C UNK 0 14.327 -0.177 -0.893 0.00 0.00 C+0 HETATM 65 C UNK 0 13.901 0.753 -0.058 0.00 0.00 C+0 HETATM 66 C UNK 0 14.435 2.129 0.024 0.00 0.00 C+0 HETATM 67 C UNK 0 14.979 2.309 1.427 0.00 0.00 C+0 HETATM 68 O UNK 0 15.480 3.608 1.493 0.00 0.00 O+0 HETATM 69 C UNK 0 16.088 1.340 1.636 0.00 0.00 C+0 HETATM 70 C UNK 0 17.097 1.306 0.788 0.00 0.00 C+0 HETATM 71 C UNK 0 18.227 0.359 0.951 0.00 0.00 C+0 HETATM 72 C UNK 0 18.292 -0.532 -0.268 0.00 0.00 C+0 HETATM 73 O UNK 0 18.482 0.189 -1.421 0.00 0.00 O+0 HETATM 74 C UNK 0 19.211 -1.685 -0.079 0.00 0.00 C+0 HETATM 75 C UNK 0 20.639 -1.354 0.199 0.00 0.00 C+0 HETATM 76 O UNK 0 21.390 -2.550 0.373 0.00 0.00 O+0 HETATM 77 C UNK 0 21.290 -0.559 -0.920 0.00 0.00 C+0 HETATM 78 C UNK 0 22.735 -0.281 -0.578 0.00 0.00 C+0 HETATM 79 C UNK 0 22.927 0.523 0.660 0.00 0.00 C+0 HETATM 80 C UNK 0 22.286 1.890 0.560 0.00 0.00 C+0 HETATM 81 N UNK 0 22.871 2.637 -0.542 0.00 0.00 N+0 HETATM 82 C UNK 0 -29.993 -3.727 -0.571 0.00 0.00 C+0 HETATM 83 O UNK 0 -30.637 -2.868 -1.220 0.00 0.00 O+0 HETATM 84 O UNK 0 -30.579 -4.924 -0.262 0.00 0.00 O+0 HETATM 85 H UNK 0 -27.026 -4.754 -0.076 0.00 0.00 H+0 HETATM 86 H UNK 0 -28.466 -5.348 0.797 0.00 0.00 H+0 HETATM 87 H UNK 0 -27.401 -4.061 1.518 0.00 0.00 H+0 HETATM 88 H UNK 0 -28.598 -1.548 -0.996 0.00 0.00 H+0 HETATM 89 H UNK 0 -26.121 -2.797 0.564 0.00 0.00 H+0 HETATM 90 H UNK 0 -26.654 -0.164 -0.835 0.00 0.00 H+0 HETATM 91 H UNK 0 -24.164 -1.352 0.699 0.00 0.00 H+0 HETATM 92 H UNK 0 -24.749 1.260 -0.716 0.00 0.00 H+0 HETATM 93 H UNK 0 -22.241 0.110 0.808 0.00 0.00 H+0 HETATM 94 H UNK 0 -22.750 2.717 -0.577 0.00 0.00 H+0 HETATM 95 H UNK 0 -20.278 1.549 0.948 0.00 0.00 H+0 HETATM 96 H UNK 0 -20.917 4.145 -0.495 0.00 0.00 H+0 HETATM 97 H UNK 0 -18.327 3.959 -0.465 0.00 0.00 H+0 HETATM 98 H UNK 0 -18.881 4.765 1.014 0.00 0.00 H+0 HETATM 99 H UNK 0 -18.283 1.753 0.667 0.00 0.00 H+0 HETATM 100 H UNK 0 -18.846 2.560 2.173 0.00 0.00 H+0 HETATM 101 H UNK 0 -16.607 3.876 2.197 0.00 0.00 H+0 HETATM 102 H UNK 0 -16.129 1.344 0.534 0.00 0.00 H+0 HETATM 103 H UNK 0 -14.454 3.432 2.103 0.00 0.00 H+0 HETATM 104 H UNK 0 -14.749 0.892 2.828 0.00 0.00 H+0 HETATM 105 H UNK 0 -13.225 1.757 3.096 0.00 0.00 H+0 HETATM 106 H UNK 0 -13.405 0.617 1.687 0.00 0.00 H+0 HETATM 107 H UNK 0 -14.092 1.782 -0.440 0.00 0.00 H+0 HETATM 108 H UNK 0 -15.188 3.608 -0.924 0.00 0.00 H+0 HETATM 109 H UNK 0 -12.010 1.602 0.545 0.00 0.00 H+0 HETATM 110 H UNK 0 -11.666 1.882 -1.739 0.00 0.00 H+0 HETATM 111 H UNK 0 -10.885 3.491 -1.233 0.00 0.00 H+0 HETATM 112 H UNK 0 -12.558 3.410 -1.771 0.00 0.00 H+0 HETATM 113 H UNK 0 -11.812 3.479 2.166 0.00 0.00 H+0 HETATM 114 H UNK 0 -12.422 5.352 1.428 0.00 0.00 H+0 HETATM 115 H UNK 0 -9.463 4.252 1.254 0.00 0.00 H+0 HETATM 116 H UNK 0 -10.152 1.543 0.123 0.00 0.00 H+0 HETATM 117 H UNK 0 -7.480 3.130 0.670 0.00 0.00 H+0 HETATM 118 H UNK 0 -8.208 0.411 -0.445 0.00 0.00 H+0 HETATM 119 H UNK 0 -5.420 1.832 0.010 0.00 0.00 H+0 HETATM 120 H UNK 0 -6.315 -0.830 -1.056 0.00 0.00 H+0 HETATM 121 H UNK 0 -3.390 0.357 -0.706 0.00 0.00 H+0 HETATM 122 H UNK 0 -4.562 -2.261 -1.755 0.00 0.00 H+0 HETATM 123 H UNK 0 -1.627 -1.173 -1.469 0.00 0.00 H+0 HETATM 124 H UNK 0 -2.924 -3.731 -2.463 0.00 0.00 H+0 HETATM 125 H UNK 0 -0.675 -4.576 -1.972 0.00 0.00 H+0 HETATM 126 H UNK 0 -0.609 -3.833 -3.561 0.00 0.00 H+0 HETATM 127 H UNK 0 0.345 -1.640 -2.310 0.00 0.00 H+0 HETATM 128 H UNK 0 1.800 -2.770 -3.268 0.00 0.00 H+0 HETATM 129 H UNK 0 -0.574 -2.451 -0.036 0.00 0.00 H+0 HETATM 130 H UNK 0 1.186 -4.298 0.806 0.00 0.00 H+0 HETATM 131 H UNK 0 -0.389 -4.652 0.033 0.00 0.00 H+0 HETATM 132 H UNK 0 1.088 -4.734 -0.980 0.00 0.00 H+0 HETATM 133 H UNK 0 0.951 0.134 0.212 0.00 0.00 H+0 HETATM 134 H UNK 0 1.652 -0.285 -1.353 0.00 0.00 H+0 HETATM 135 H UNK 0 3.125 1.037 -0.160 0.00 0.00 H+0 HETATM 136 H UNK 0 4.109 -0.637 -1.247 0.00 0.00 H+0 HETATM 137 H UNK 0 2.815 -0.828 2.247 0.00 0.00 H+0 HETATM 138 H UNK 0 2.265 0.844 2.024 0.00 0.00 H+0 HETATM 139 H UNK 0 4.330 0.641 3.365 0.00 0.00 H+0 HETATM 140 H UNK 0 5.017 -1.321 1.926 0.00 0.00 H+0 HETATM 141 H UNK 0 4.764 2.001 0.646 0.00 0.00 H+0 HETATM 142 H UNK 0 4.120 2.644 2.169 0.00 0.00 H+0 HETATM 143 H UNK 0 6.248 2.297 3.357 0.00 0.00 H+0 HETATM 144 H UNK 0 7.556 3.577 1.773 0.00 0.00 H+0 HETATM 145 H UNK 0 8.041 1.016 2.457 0.00 0.00 H+0 HETATM 146 H UNK 0 6.466 1.198 -0.117 0.00 0.00 H+0 HETATM 147 H UNK 0 9.073 -0.232 0.833 0.00 0.00 H+0 HETATM 148 H UNK 0 8.920 0.433 -0.814 0.00 0.00 H+0 HETATM 149 H UNK 0 7.130 -1.244 -1.356 0.00 0.00 H+0 HETATM 150 H UNK 0 7.513 -2.031 1.350 0.00 0.00 H+0 HETATM 151 H UNK 0 9.420 -1.460 -1.944 0.00 0.00 H+0 HETATM 152 H UNK 0 8.698 -3.065 -1.622 0.00 0.00 H+0 HETATM 153 H UNK 0 10.567 -1.465 0.238 0.00 0.00 H+0 HETATM 154 H UNK 0 9.903 -2.797 1.754 0.00 0.00 H+0 HETATM 155 H UNK 0 11.902 -3.515 0.060 0.00 0.00 H+0 HETATM 156 H UNK 0 10.645 -4.280 -0.983 0.00 0.00 H+0 HETATM 157 H UNK 0 12.551 -3.602 -2.304 0.00 0.00 H+0 HETATM 158 H UNK 0 11.257 -3.003 -3.892 0.00 0.00 H+0 HETATM 159 H UNK 0 12.968 -1.274 -2.861 0.00 0.00 H+0 HETATM 160 H UNK 0 11.814 -0.687 -1.626 0.00 0.00 H+0 HETATM 161 H UNK 0 14.432 -2.260 -1.116 0.00 0.00 H+0 HETATM 162 H UNK 0 13.877 -1.478 1.145 0.00 0.00 H+0 HETATM 163 H UNK 0 15.119 0.046 -1.573 0.00 0.00 H+0 HETATM 164 H UNK 0 13.096 0.506 0.629 0.00 0.00 H+0 HETATM 165 H UNK 0 13.615 2.890 -0.147 0.00 0.00 H+0 HETATM 166 H UNK 0 15.252 2.332 -0.693 0.00 0.00 H+0 HETATM 167 H UNK 0 14.181 2.161 2.192 0.00 0.00 H+0 HETATM 168 H UNK 0 15.010 4.226 0.873 0.00 0.00 H+0 HETATM 169 H UNK 0 16.047 0.672 2.490 0.00 0.00 H+0 HETATM 170 H UNK 0 17.112 1.977 -0.042 0.00 0.00 H+0 HETATM 171 H UNK 0 19.130 0.924 1.158 0.00 0.00 H+0 HETATM 172 H UNK 0 18.029 -0.326 1.812 0.00 0.00 H+0 HETATM 173 H UNK 0 17.252 -0.975 -0.355 0.00 0.00 H+0 HETATM 174 H UNK 0 18.481 1.146 -1.266 0.00 0.00 H+0 HETATM 175 H UNK 0 19.175 -2.292 -1.025 0.00 0.00 H+0 HETATM 176 H UNK 0 18.774 -2.362 0.693 0.00 0.00 H+0 HETATM 177 H UNK 0 20.711 -0.767 1.125 0.00 0.00 H+0 HETATM 178 H UNK 0 20.795 -3.337 0.338 0.00 0.00 H+0 HETATM 179 H UNK 0 20.743 0.374 -1.159 0.00 0.00 H+0 HETATM 180 H UNK 0 21.275 -1.181 -1.833 0.00 0.00 H+0 HETATM 181 H UNK 0 23.280 0.165 -1.425 0.00 0.00 H+0 HETATM 182 H UNK 0 23.208 -1.282 -0.405 0.00 0.00 H+0 HETATM 183 H UNK 0 24.018 0.646 0.825 0.00 0.00 H+0 HETATM 184 H UNK 0 22.518 0.041 1.570 0.00 0.00 H+0 HETATM 185 H UNK 0 22.528 2.451 1.491 0.00 0.00 H+0 HETATM 186 H UNK 0 21.199 1.818 0.480 0.00 0.00 H+0 HETATM 187 H UNK 0 22.185 2.749 -1.335 0.00 0.00 H+0 HETATM 188 H UNK 0 23.691 2.109 -0.933 0.00 0.00 H+0 HETATM 189 H UNK 0 -31.451 -5.275 -0.637 0.00 0.00 H+0 CONECT 1 2 85 86 87 CONECT 2 1 3 82 CONECT 3 2 4 88 CONECT 4 3 5 89 CONECT 5 4 6 90 CONECT 6 5 7 91 CONECT 7 6 8 92 CONECT 8 7 9 93 CONECT 9 8 10 94 CONECT 10 9 11 95 CONECT 11 10 12 96 CONECT 12 11 13 97 98 CONECT 13 12 14 99 100 CONECT 14 13 15 101 CONECT 15 14 16 102 CONECT 16 15 17 18 103 CONECT 17 16 104 105 106 CONECT 18 16 19 20 107 CONECT 19 18 108 CONECT 20 18 21 22 109 CONECT 21 20 110 111 112 CONECT 22 20 23 24 113 CONECT 23 22 114 CONECT 24 22 25 115 CONECT 25 24 26 116 CONECT 26 25 27 117 CONECT 27 26 28 118 CONECT 28 27 29 119 CONECT 29 28 30 120 CONECT 30 29 31 121 CONECT 31 30 32 122 CONECT 32 31 33 123 CONECT 33 32 34 124 CONECT 34 33 35 125 126 CONECT 35 34 36 37 127 CONECT 36 35 128 CONECT 37 35 38 39 129 CONECT 38 37 130 131 132 CONECT 39 37 40 41 CONECT 40 39 CONECT 41 39 42 133 134 CONECT 42 41 43 44 135 CONECT 43 42 136 CONECT 44 42 45 137 138 CONECT 45 44 46 47 139 CONECT 46 45 140 CONECT 47 45 48 141 142 CONECT 48 47 49 50 143 CONECT 49 48 144 CONECT 50 48 51 145 CONECT 51 50 52 146 CONECT 52 51 53 147 148 CONECT 53 52 54 55 149 CONECT 54 53 150 CONECT 55 53 56 151 152 CONECT 56 55 57 58 153 CONECT 57 56 154 CONECT 58 56 59 155 156 CONECT 59 58 60 61 157 CONECT 60 59 158 CONECT 61 59 62 159 160 CONECT 62 61 63 64 161 CONECT 63 62 162 CONECT 64 62 65 163 CONECT 65 64 66 164 CONECT 66 65 67 165 166 CONECT 67 66 68 69 167 CONECT 68 67 168 CONECT 69 67 70 169 CONECT 70 69 71 170 CONECT 71 70 72 171 172 CONECT 72 71 73 74 173 CONECT 73 72 174 CONECT 74 72 75 175 176 CONECT 75 74 76 77 177 CONECT 76 75 178 CONECT 77 75 78 179 180 CONECT 78 77 79 181 182 CONECT 79 78 80 183 184 CONECT 80 79 81 185 186 CONECT 81 80 187 188 CONECT 82 2 83 84 CONECT 83 82 CONECT 84 82 189 CONECT 85 1 CONECT 86 1 CONECT 87 1 CONECT 88 3 CONECT 89 4 CONECT 90 5 CONECT 91 6 CONECT 92 7 CONECT 93 8 CONECT 94 9 CONECT 95 10 CONECT 96 11 CONECT 97 12 CONECT 98 12 CONECT 99 13 CONECT 100 13 CONECT 101 14 CONECT 102 15 CONECT 103 16 CONECT 104 17 CONECT 105 17 CONECT 106 17 CONECT 107 18 CONECT 108 19 CONECT 109 20 CONECT 110 21 CONECT 111 21 CONECT 112 21 CONECT 113 22 CONECT 114 23 CONECT 115 24 CONECT 116 25 CONECT 117 26 CONECT 118 27 CONECT 119 28 CONECT 120 29 CONECT 121 30 CONECT 122 31 CONECT 123 32 CONECT 124 33 CONECT 125 34 CONECT 126 34 CONECT 127 35 CONECT 128 36 CONECT 129 37 CONECT 130 38 CONECT 131 38 CONECT 132 38 CONECT 133 41 CONECT 134 41 CONECT 135 42 CONECT 136 43 CONECT 137 44 CONECT 138 44 CONECT 139 45 CONECT 140 46 CONECT 141 47 CONECT 142 47 CONECT 143 48 CONECT 144 49 CONECT 145 50 CONECT 146 51 CONECT 147 52 CONECT 148 52 CONECT 149 53 CONECT 150 54 CONECT 151 55 CONECT 152 55 CONECT 153 56 CONECT 154 57 CONECT 155 58 CONECT 156 58 CONECT 157 59 CONECT 158 60 CONECT 159 61 CONECT 160 61 CONECT 161 62 CONECT 162 63 CONECT 163 64 CONECT 164 65 CONECT 165 66 CONECT 166 66 CONECT 167 67 CONECT 168 68 CONECT 169 69 CONECT 170 70 CONECT 171 71 CONECT 172 71 CONECT 173 72 CONECT 174 73 CONECT 175 74 CONECT 176 74 CONECT 177 75 CONECT 178 76 CONECT 179 77 CONECT 180 77 CONECT 181 78 CONECT 182 78 CONECT 183 79 CONECT 184 79 CONECT 185 80 CONECT 186 80 CONECT 187 81 CONECT 188 81 CONECT 189 84 MASTER 0 0 0 0 0 0 0 0 189 0 376 0 END SMILES for NP0016988 (Linearmycin C)[H]OC(=O)C(=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])([H])C([H])([H])C(\[H])=C(/[H])[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])([H])[C@]([H])(O[H])[C@]([H])(C(=O)C([H])([H])[C@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])C([H])([H])[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])[C@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])C([H])([H])[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])[C@@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])[H])\C([H])([H])[H] INCHI for NP0016988 (Linearmycin C)InChI=1S/C67H105NO16/c1-49(30-21-17-13-9-6-5-7-10-14-18-22-31-50(2)67(83)84)66(82)52(4)64(80)40-24-20-16-12-8-11-15-19-23-39-63(79)51(3)65(81)48-62(78)47-61(77)45-58(74)38-29-37-57(73)44-60(76)46-59(75)43-56(72)36-28-34-53(69)33-27-35-55(71)42-54(70)32-25-26-41-68/h5-12,14-16,18-24,27-31,33,36,38,40,49,51-64,66,69-80,82H,13,17,25-26,32,34-35,37,39,41-48,68H2,1-4H3,(H,83,84)/b7-5+,9-6+,12-8+,14-10+,15-11+,20-16+,22-18+,23-19+,30-21+,33-27+,36-28+,38-29+,40-24+,50-31+/t49-,51-,52+,53-,54+,55-,56-,57+,58-,59+,60-,61+,62-,63+,64-,66-/m1/s1 3D Structure for NP0016988 (Linearmycin C) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
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| Chemical Formula | C67H105NO16 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1180.5680 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1179.74334 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2E,4E,6E,8E,10E,14E,16R,17R,18S,19R,20E,22E,24E,26E,28E,31S,32R,35R,37R,39S,40E,43S,45R,47R,49S,50E,53S,54E,57R,59S)-63-amino-17,19,31,35,37,39,43,45,47,49,53,57,59-tridecahydroxy-2,16,18,32-tetramethyl-33-oxotrihexaconta-2,4,6,8,10,14,20,22,24,26,28,40,50,54-tetradecaenoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (2E,4E,6E,8E,10E,14E,16R,17R,18S,19R,20E,22E,24E,26E,28E,31S,32R,35R,37R,39S,40E,43S,45R,47R,49S,50E,53S,54E,57R,59S)-63-amino-17,19,31,35,37,39,43,45,47,49,53,57,59-tridecahydroxy-2,16,18,32-tetramethyl-33-oxotrihexaconta-2,4,6,8,10,14,20,22,24,26,28,40,50,54-tetradecaenoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC(\C=C\CC\C=C\C=C\C=C\C=C\C=C(/C)C(O)=O)C(O)C(C)C(O)\C=C\C=C\C=C\C=C\C=C\CC(O)C(C)C(=O)CC(O)CC(O)CC(O)\C=C\CC(O)CC(O)CC(O)CC(O)\C=C\CC(O)\C=C\CC(O)CC(O)CCCCN | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C67H105NO16/c1-49(30-21-17-13-9-6-5-7-10-14-18-22-31-50(2)67(83)84)66(82)52(4)64(80)40-24-20-16-12-8-11-15-19-23-39-63(79)51(3)65(81)48-62(78)47-61(77)45-58(74)38-29-37-57(73)44-60(76)46-59(75)43-56(72)36-28-34-53(69)33-27-35-55(71)42-54(70)32-25-26-41-68/h5-12,14-16,18-24,27-31,33,36,38,40,49,51-64,66,69-80,82H,13,17,25-26,32,34-35,37,39,41-48,68H2,1-4H3,(H,83,84)/b7-5+,9-6+,12-8+,14-10+,15-11+,20-16+,22-18+,23-19+,30-21+,33-27+,36-28+,38-29+,40-24+,50-31+ | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | UDHUSHDWZRJLRJ-SGLVRUAKSA-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 | NPA022820 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 78443723 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 139590153 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
