| Properties | Image |
|---|
| MNX_ID | MNXM359211 |
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| reference | slm:000476169 |
| formula | C43H83O13P2 |
| global charge | -3 |
| mol weight | 870.072 |
| InChIKey | CBDCHIQMOYSGLX-WVILEFPPSA-K |
| InChI | InChI=1S/C43H86O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-34-42(45)52-38-41(39-55-58(50,51)54-37-40(44)36-53-57(47,48)49)56-43(46)35-33-31-29-27-25-22-16-14-12-10-8-6-4-2/h40-41,44H,3-39H2,1-2H3,(H,50,51)(H2,47,48,49)/p-3/t40-,41+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C43H86O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-34-42(45)52-38-41(39-55-58(50,51)54-37-40(44)36-53-57(47,48)49)56-43(46)35-33-31-29-27-25-22-16-14-12-10-8-6-4-2/h40-41,44H,3-39H2,1-2H3,(H,50,51)(H2,47,48,49)/t40-,41+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][C:42](=[O:45])[O:52][CH2:38][C@H:41]([CH2:39][O:55][P:58]([OH:50])(=[O:51])[O:54][CH2:37][C@H:40]([CH2:36][O:53][P:57]([OH:47])([OH:48])=[O:49])[OH:44])[O:56][C:43]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:22][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:46] |
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