| Properties | Image |
|---|
| MNX_ID | MNXM233374 |
 |
| reference | slm:000440628 |
| formula | C63H111O22P4 |
| global charge | -7 |
| mol weight | 1344.455 |
| InChIKey | KPWAPINSXFYJGZ-UGUQWOTKSA-G |
| InChI | InChI=1S/C63H118O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-32-33-35-37-39-41-43-45-47-49-51-56(64)79-53-55(81-57(65)52-50-48-46-44-42-40-38-36-34-31-24-22-20-18-16-14-12-10-8-6-4-2)54-80-89(77,78)85-60-58(66)61(82-86(68,69)70)63(84-88(74,75)76)62(59(60)67)83-87(71,72)73/h11,13,17,19,23,25,27-28,55,58-63,66-67H,3-10,12,14-16,18,20-22,24,26,29-54H2,1-2H3,(H,77,78)(H2,68,69,70)(H2,71,72,73)(H2,74,75,76)/p-7/b13-11-,19-17-,25-23-,28-27-/t55-,58+,59+,60-,61+,62-,63-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C63H118O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-32-33-35-37-39-41-43-45-47-49-51-56(64)79-53-55(81-57(65)52-50-48-46-44-42-40-38-36-34-31-24-22-20-18-16-14-12-10-8-6-4-2)54-80-89(77,78)85-60-58(66)61(82-86(68,69)70)63(84-88(74,75)76)62(59(60)67)83-87(71,72)73/h11,13,17,19,23,25,27-28,55,58-63,66-67H,3-10,12,14-16,18,20-22,24,26,29-54H2,1-2H3,(H,77,78)(H2,68,69,70)(H2,71,72,73)(H2,74,75,76)/b13-11-,19-17-,25-23-,28-27-/t55-,58+,59+,60-,61+,62-,63-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29][CH2:30][CH2:32][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][C:56](=[O:64])[O:79][CH2:53][C@H:55]([CH2:54][O:80][P:89]([OH:77])(=[O:78])[O:85][C@@H:60]1[C@H:58]([OH:66])[C@H:61]([O:82][P:86]([OH:68])([OH:69])=[O:70])[C@@H:63]([O:84][P:88]([OH:74])([OH:75])=[O:76])[C@H:62]([O:83][P:87]([OH:71])([OH:72])=[O:73])[C@H:59]1[OH:67])[O:81][C:57]([CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:31][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:65] |
|