| Properties | Image |
|---|
| MNX_ID | MNXM212920 |
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| reference | slm:000433549 |
| formula | C58H99O16P2 |
| global charge | -3 |
| mol weight | 1114.362 |
| InChIKey | AWDXQVAJSUPNBM-IKZPDZEZSA-K |
| InChI | InChI=1S/C58H102O16P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-33-37-40-43-46-52(60)72-50(47-70-51(59)45-42-39-36-34-31-32-35-38-41-44-49(2)3)48-71-76(68,69)74-58-55(63)53(61)54(62)57(56(58)64)73-75(65,66)67/h5-6,8-9,11-12,14-15,17-18,20-21,49-50,53-58,61-64H,4,7,10,13,16,19,22-48H2,1-3H3,(H,68,69)(H2,65,66,67)/p-3/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t50-,53-,54-,55-,56-,57+,58-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC(C)C)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 |
MNX internals
| InChI (mnx) | InChI=1/C58H102O16P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-33-37-40-43-46-52(60)72-50(47-70-51(59)45-42-39-36-34-31-32-35-38-41-44-49(2)3)48-71-76(68,69)74-58-55(63)53(61)54(62)57(56(58)64)73-75(65,66)67/h5-6,8-9,11-12,14-15,17-18,20-21,49-50,53-58,61-64H,4,7,10,13,16,19,22-48H2,1-3H3,(H,68,69)(H2,65,66,67)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t50-,53-,54-,55-,56-,57+,58-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:33][CH2:37][CH2:40][CH2:43][CH2:46][C:52](=[O:60])[O:72][C@H:50]([CH2:47][O:70][C:51]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:34][CH2:31][CH2:32][CH2:35][CH2:38][CH2:41][CH2:44][CH:49]([CH3:2])[CH3:3])=[O:59])[CH2:48][O:71][P:76]([OH:68])(=[O:69])[O:74][C@@H:58]1[C@H:55]([OH:63])[C@H:53]([OH:61])[C@@H:54]([OH:62])[C@H:57]([O:73][P:75]([OH:65])([OH:66])=[O:67])[C@H:56]1[OH:64] |
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