| Properties | Image |
|---|
| MNX_ID | MNXM193494 |
 |
| reference | slm:000432916 |
| formula | C59H101O16P2 |
| global charge | -3 |
| mol weight | 1128.389 |
| InChIKey | OJWPOUJOHXQSQT-HTVIBFDSSA-K |
| InChI | InChI=1S/C59H104O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-28-29-31-33-35-37-39-41-43-45-47-52(60)71-49-51(50-72-77(69,70)75-59-56(64)54(62)55(63)58(57(59)65)74-76(66,67)68)73-53(61)48-46-44-42-40-38-36-34-32-30-27-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,28-29,51,54-59,62-65H,3-4,6,8-10,12,14-16,21-22,24,26-27,30-50H2,1-2H3,(H,69,70)(H2,66,67,68)/p-3/b7-5-,13-11-,19-17-,20-18-,25-23-,29-28-/t51-,54-,55-,56-,57-,58+,59-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C59H104O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-28-29-31-33-35-37-39-41-43-45-47-52(60)71-49-51(50-72-77(69,70)75-59-56(64)54(62)55(63)58(57(59)65)74-76(66,67)68)73-53(61)48-46-44-42-40-38-36-34-32-30-27-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,28-29,51,54-59,62-65H,3-4,6,8-10,12,14-16,21-22,24,26-27,30-50H2,1-2H3,(H,69,70)(H2,66,67,68)/b7-5-,13-11-,19-17-,20-18-,25-23-,29-28-/t51-,54-,55-,56-,57-,58+,59-/m1/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:25]\[CH2:26]/[CH:28]=[CH:29]\[CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][C:52](=[O:60])[O:71][CH2:49][C@H:51]([CH2:50][O:72][P:77]([OH:69])(=[O:70])[O:75][C@@H:59]1[C@H:56]([OH:64])[C@H:54]([OH:62])[C@@H:55]([OH:63])[C@H:58]([O:74][P:76]([OH:66])([OH:67])=[O:68])[C@H:57]1[OH:65])[O:73][C:53]([CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:27][CH2:24][CH2:22]/[CH:20]=[CH:18]\[CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:61] |
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