| Properties | Image |
|---|
| MNX_ID | MNXM342912 |
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| reference | slm:000450086 |
| formula | C29H46O19P3 |
| global charge | -5 |
| mol weight | 791.59 |
| InChIKey | YFHVFTQPPRFTOS-GRLBCLPYSA-I |
| InChI | InChI=1S/C29H51O19P3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(31)45-22(19-43-21(2)30)20-44-51(41,42)48-29-25(33)27(46-49(35,36)37)24(32)28(26(29)34)47-50(38,39)40/h4-5,7-8,10-11,22,24-29,32-34H,3,6,9,12-20H2,1-2H3,(H,41,42)(H2,35,36,37)(H2,38,39,40)/p-5/b5-4-,8-7-,11-10-/t22-,24-,25-,26-,27-,28+,29-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=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](O)[C@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C29H51O19P3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(31)45-22(19-43-21(2)30)20-44-51(41,42)48-29-25(33)27(46-49(35,36)37)24(32)28(26(29)34)47-50(38,39)40/h4-5,7-8,10-11,22,24-29,32-34H,3,6,9,12-20H2,1-2H3,(H,41,42)(H2,35,36,37)(H2,38,39,40)/b5-4-,8-7-,11-10-/t22-,24-,25-,26-,27-,28+,29-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:4]=[CH:5]\[CH2:6]/[CH:7]=[CH:8]\[CH2:9]/[CH:10]=[CH:11]\[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][C:23](=[O:31])[O:45][C@H:22]([CH2:19][O:43][C:21]([CH3:2])=[O:30])[CH2:20][O:44][P:51]([OH:41])(=[O:42])[O:48][C@@H:29]1[C@H:25]([OH:33])[C@H:27]([O:46][P:49]([OH:35])([OH:36])=[O:37])[C@@H:24]([OH:32])[C@H:28]([O:47][P:50]([OH:38])([OH:39])=[O:40])[C@H:26]1[OH:34] |
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