| Properties | Image |
|---|
| MNX_ID | MNXM337707 |
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| reference | slm:000443535 |
| formula | C27H45O22P4 |
| global charge | -7 |
| mol weight | 845.531 |
| InChIKey | NSFYKPGAZMXMCZ-NMNAGGTPSA-G |
| InChI | InChI=1S/C27H52O22P4/c1-3-5-6-7-8-9-10-11-12-13-14-16-20(28)43-17-19(45-21(29)15-4-2)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/h7-8,19,22-27,30-31H,3-6,9-18H2,1-2H3,(H,41,42)(H2,32,33,34)(H2,35,36,37)(H2,38,39,40)/p-7/b8-7-/t19-,22+,23+,24-,25+,26-,27-/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@H](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)OC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C27H52O22P4/c1-3-5-6-7-8-9-10-11-12-13-14-16-20(28)43-17-19(45-21(29)15-4-2)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/h7-8,19,22-27,30-31H,3-6,9-18H2,1-2H3,(H,41,42)(H2,32,33,34)(H2,35,36,37)(H2,38,39,40)/b8-7-/t19-,22+,23+,24-,25+,26-,27-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6]/[CH:7]=[CH:8]\[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:16][C:20](=[O:28])[O:43][CH2:17][C@H:19]([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])[O:45][C:21]([CH2:15][CH2:4][CH3:2])=[O:29] |
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