| Properties | Image |
|---|
| MNX_ID | MNXM342953 |
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| reference | slm:000430897 |
| formula | C27H46O19P3 |
| global charge | -5 |
| mol weight | 767.568 |
| InChIKey | WXNCDIAKISOVBR-GRJQORCJSA-I |
| InChI | InChI=1S/C27H51O19P3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(29)43-20(17-41-19(2)28)18-42-49(39,40)46-25-22(30)23(31)26(44-47(33,34)35)27(24(25)32)45-48(36,37)38/h8-9,20,22-27,30-32H,3-7,10-18H2,1-2H3,(H,39,40)(H2,33,34,35)(H2,36,37,38)/p-5/b9-8-/t20-,22-,23-,24+,25+,26+,27+/m1/s1 |
| SMILES | CCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(C)=O)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C27H51O19P3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(29)43-20(17-41-19(2)28)18-42-49(39,40)46-25-22(30)23(31)26(44-47(33,34)35)27(24(25)32)45-48(36,37)38/h8-9,20,22-27,30-32H,3-7,10-18H2,1-2H3,(H,39,40)(H2,33,34,35)(H2,36,37,38)/b9-8-/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]/[CH:8]=[CH:9]\[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][C:21](=[O:29])[O:43][C@H:20]([CH2:17][O:41][C:19]([CH3:2])=[O:28])[CH2:18][O:42][P:49]([OH:39])(=[O:40])[O:46][C@H:25]1[C@H:22]([OH:30])[C@@H:23]([OH:31])[C@H:26]([O:44][P:47]([OH:33])([OH:34])=[O:35])[C@@H:27]([O:45][P:48]([OH:36])([OH:37])=[O:38])[C@H:24]1[OH:32] |
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