| Properties | Image |
|---|
| MNX_ID | MNXM1593994 |
 |
| reference | vmhM:dcsatenw9coaE
vmhM:dcsatenw9coaE |
| formula | C43H66N7O17P3S |
| global charge | -4 |
| mol weight | 1078.022 |
| InChIKey | HMQJPKUKCXAKKZ-CVIRXGRYSA-J |
| InChI | InChI=1S/C43H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h11-12,14-15,17-18,22-23,30-32,36-38,42,53-54H,4-10,13,16,19-21,24-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b12-11-,15-14-,18-17-,23-22+/t32-,36-,37-,38+,42-/m1/s1 |
| SMILES | CCCCCCCC/C=C\C/C=C\C/C=C\CCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C43H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h11-12,14-15,17-18,22-23,30-32,36-38,42,53-54H,4-10,13,16,19-21,24-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b12-11-,15-14-,18-17-,23-22+/t32-,36-,37-,38+,42-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21]/[CH:22]=[CH:23]/[C:34](=[O:52])[S:71][CH2:27][CH2:26][NH:45][C:33]([CH2:24][CH2:25][NH:46][C:41]([C@@H:38]([C:43]([CH3:2])([CH3:3])[CH2:29][O:64][P:70]([OH:61])(=[O:62])[O:67][P:69]([OH:59])(=[O:60])[O:63][CH2:28][C@@H:32]1[C@@H:37]([O:66][P:68]([OH:56])([OH:57])=[O:58])[C@@H:36]([OH:53])[C@H:42]([n:50]2[cH:31][n:49][c:35]3[c:39]([NH2:44])[n:47][cH:30][n:48][c:40]32)[O:65]1)[OH:54])=[O:55])=[O:51] |
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