| Properties | Image |
|---|
| MNX_ID | MNXM360899 |
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| reference | slm:000437821 |
| formula | C62H109O16P2 |
| global charge | -3 |
| mol weight | 1172.486 |
| InChIKey | VSGMPTFIASWONC-PQOCHBRDSA-K |
| InChI | InChI=1S/C62H112O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-56(64)76-54(52-74-55(63)50-48-46-44-42-40-38-18-16-14-12-10-8-6-4-2)53-75-80(72,73)78-62-59(67)57(65)58(66)61(60(62)68)77-79(69,70)71/h5,7,11,13,17,19,21-22,24-25,54,57-62,65-68H,3-4,6,8-10,12,14-16,18,20,23,26-53H2,1-2H3,(H,72,73)(H2,69,70,71)/p-3/b7-5-,13-11-,19-17-,22-21-,25-24-/t54-,57-,58-,59-,60-,61+,62-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)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/C62H112O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-56(64)76-54(52-74-55(63)50-48-46-44-42-40-38-18-16-14-12-10-8-6-4-2)53-75-80(72,73)78-62-59(67)57(65)58(66)61(60(62)68)77-79(69,70)71/h5,7,11,13,17,19,21-22,24-25,54,57-62,65-68H,3-4,6,8-10,12,14-16,18,20,23,26-53H2,1-2H3,(H,72,73)(H2,69,70,71)/b7-5-,13-11-,19-17-,22-21-,25-24-/t54-,57-,58-,59-,60-,61+,62-/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]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][C:56](=[O:64])[O:76][C@H:54]([CH2:52][O:74][C:55]([CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:63])[CH2:53][O:75][P:80]([OH:72])(=[O:73])[O:78][C@@H:62]1[C@H:59]([OH:67])[C@H:57]([OH:65])[C@@H:58]([OH:66])[C@H:61]([O:77][P:79]([OH:69])([OH:70])=[O:71])[C@H:60]1[OH:68] |
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