| Properties | Image |
|---|
| MNX_ID | MNXM192850 |
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| reference | slm:000471199 |
| formula | C27H49O13P2 |
| global charge | -3 |
| mol weight | 643.624 |
| InChIKey | QNEFUTPPYZWYNT-DRDVXZIOSA-K |
| InChI | InChI=1S/C27H52O13P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(30)36-22-25(40-26(29)4-2)23-39-42(34,35)38-21-24(28)20-37-41(31,32)33/h9-10,24-25,28H,3-8,11-23H2,1-2H3,(H,34,35)(H2,31,32,33)/p-3/b10-9+/t24-,25+/m0/s1 |
| SMILES | CCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CC |
MNX internals
| InChI (mnx) | InChI=1/C27H52O13P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(30)36-22-25(40-26(29)4-2)23-39-42(34,35)38-21-24(28)20-37-41(31,32)33/h9-10,24-25,28H,3-8,11-23H2,1-2H3,(H,34,35)(H2,31,32,33)/b10-9+/t24-,25+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH2:7][CH2:8]/[CH:9]=[CH:10]/[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][C:27](=[O:30])[O:36][CH2:22][C@H:25]([CH2:23][O:39][P:42]([OH:34])(=[O:35])[O:38][CH2:21][C@H:24]([CH2:20][O:37][P:41]([OH:31])([OH:32])=[O:33])[OH:28])[O:40][C:26]([CH2:4][CH3:2])=[O:29] |
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