| Properties | Image |
|---|
| MNX_ID | MNXM219063 |
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| reference | slm:000472179 |
| formula | C62H107O13P2 |
| global charge | -3 |
| mol weight | 1122.473 |
| InChIKey | JSUVFNOKYWGNMS-NZOJUCKCSA-K |
| InChI | InChI=1S/C62H110O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-50-52-54-62(65)75-60(58-74-77(69,70)73-56-59(63)55-72-76(66,67)68)57-71-61(64)53-51-49-47-45-43-41-39-37-35-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-24,26-27,59-60,63H,3-4,6,8-10,15-16,21-22,25,28-58H2,1-2H3,(H,69,70)(H2,66,67,68)/p-3/b7-5-,13-11-,14-12-,19-17-,20-18-,24-23-,27-26-/t59-,60+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C62H110O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-50-52-54-62(65)75-60(58-74-77(69,70)73-56-59(63)55-72-76(66,67)68)57-71-61(64)53-51-49-47-45-43-41-39-37-35-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-24,26-27,59-60,63H,3-4,6,8-10,15-16,21-22,25,28-58H2,1-2H3,(H,69,70)(H2,66,67,68)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-23-,27-26-/t59-,60+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH: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][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][C:62](=[O:65])[O:75][C@H:60]([CH2:57][O:71][C:61]([CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:64])[CH2:58][O:74][P:77]([OH:69])(=[O:70])[O:73][CH2:56][C@H:59]([CH2:55][O:72][P:76]([OH:66])([OH:67])=[O:68])[OH:63] |
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