| Properties | Image |
|---|
| MNX_ID | MNXM218756 |
 |
| reference | slm:000492904 |
| formula | C63H105O22P4 |
| global charge | -7 |
| mol weight | 1338.407 |
| InChIKey | XHRQPWKVSRINLH-ZVUYXHATSA-G |
| InChI | InChI=1S/C63H112O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-48-50-52-57(65)81-55(53-79-56(64)51-49-47-45-43-41-39-37-35-33-22-20-18-16-14-12-10-8-6-4-2)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/h11-14,17-20,23-24,26-27,29-30,55,58-63,66-67H,3-10,15-16,21-22,25,28,31-54H2,1-2H3,(H,77,78)(H2,68,69,70)(H2,71,72,73)(H2,74,75,76)/p-7/b13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,30-29-/t55-,58+,59+,60-,61+,62-,63-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)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 |
MNX internals
| InChI (mnx) | InChI=1/C63H112O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-48-50-52-57(65)81-55(53-79-56(64)51-49-47-45-43-41-39-37-35-33-22-20-18-16-14-12-10-8-6-4-2)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/h11-14,17-20,23-24,26-27,29-30,55,58-63,66-67H,3-10,15-16,21-22,25,28,31-54H2,1-2H3,(H,77,78)(H2,68,69,70)(H2,71,72,73)(H2,74,75,76)/b13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,30-29-/t55-,58+,59+,60-,61+,62-,63-/m1/s1 |
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| 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:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][C:57](=[O:65])[O:81][C@H:55]([CH2:53][O:79][C:56]([CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:64])[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] |
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