| Properties | Image |
|---|
| MNX_ID | MNXM343104 |
 |
| reference | slm:000443702 |
| formula | C27H47O22P4 |
| global charge | -7 |
| mol weight | 847.547 |
| InChIKey | XPFFCONXOIDQBY-MARQOXMFSA-G |
| InChI | InChI=1S/C27H54O22P4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(29)45-20(17-43-19(2)28)18-44-53(41,42)49-24-22(30)25(46-50(32,33)34)27(48-52(38,39)40)26(23(24)31)47-51(35,36)37/h20,22-27,30-31H,3-18H2,1-2H3,(H,41,42)(H2,32,33,34)(H2,35,36,37)(H2,38,39,40)/p-7/t20-,22+,23+,24-,25+,26-,27-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCC(=O)O[C@H](COC(C)=O)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C27H54O22P4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(29)45-20(17-43-19(2)28)18-44-53(41,42)49-24-22(30)25(46-50(32,33)34)27(48-52(38,39)40)26(23(24)31)47-51(35,36)37/h20,22-27,30-31H,3-18H2,1-2H3,(H,41,42)(H2,32,33,34)(H2,35,36,37)(H2,38,39,40)/t20-,22+,23+,24-,25+,26-,27-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][C:21](=[O:29])[O:45][C@H:20]([CH2:17][O:43][C:19]([CH3:2])=[O:28])[CH2:18][O:44][P:53]([OH:41])(=[O:42])[O:49][C@@H:24]1[C@H:22]([OH:30])[C@H:25]([O:46][P:50]([OH:32])([OH:33])=[O:34])[C@@H:27]([O:48][P:52]([OH:38])([OH:39])=[O:40])[C@H:26]([O:47][P:51]([OH:35])([OH:36])=[O:37])[C@H:23]1[OH:31] |
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