| Properties | Image |
|---|
| MNX_ID | MNXM191680 |
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| reference | slm:000451982 |
| formula | C51H87O16P2 |
| global charge | -3 |
| mol weight | 1018.189 |
| InChIKey | VTPAGXUWGSELQN-MBUADLTHSA-K |
| InChI | InChI=1S/C51H90O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(53)65-43(41-63-44(52)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2)42-64-69(61,62)67-51-48(56)46(54)47(55)50(49(51)57)66-68(58,59)60/h11,13-14,16-17,19,21-22,24,26,43,46-51,54-57H,3-10,12,15,18,20,23,25,27-42H2,1-2H3,(H,61,62)(H2,58,59,60)/p-3/b13-11-,16-14+,19-17-,22-21-,26-24-/t43-,46+,47+,48-,49-,50-,51+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C/CCCCCC)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/C51H90O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(53)65-43(41-63-44(52)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2)42-64-69(61,62)67-51-48(56)46(54)47(55)50(49(51)57)66-68(58,59)60/h11,13-14,16-17,19,21-22,24,26,43,46-51,54-57H,3-10,12,15,18,20,23,25,27-42H2,1-2H3,(H,61,62)(H2,58,59,60)/b13-11-,16-14+,19-17-,22-21-,26-24-/t43-,46+,47+,48-,49-,50-,51+/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]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:26]\[CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:45](=[O:53])[O:65][C@H:43]([CH2:41][O:63][C:44]([CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:18]/[CH:16]=[CH:14]/[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:52])[CH2:42][O:64][P:69]([OH:61])(=[O:62])[O:67][C@H:51]1[C@H:48]([OH:56])[C@@H:46]([OH:54])[C@H:47]([OH:55])[C@@H:50]([O:66][P:68]([OH:58])([OH:59])=[O:60])[C@H:49]1[OH:57] |
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