| Properties | Image |
|---|
| MNX_ID | MNXM324413 |
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| reference | slm:000430425 |
| formula | C29H48O19P3 |
| global charge | -5 |
| mol weight | 793.606 |
| InChIKey | PYJVMTDIHJGWJA-AWPKHIJDSA-I |
| InChI | InChI=1S/C29H53O19P3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-22(30)43-19-21(45-23(31)17-4-2)20-44-51(41,42)48-27-24(32)25(33)28(46-49(35,36)37)29(26(27)34)47-50(38,39)40/h6-7,9-10,21,24-29,32-34H,3-5,8,11-20H2,1-2H3,(H,41,42)(H2,35,36,37)(H2,38,39,40)/p-5/b7-6-,10-9-/t21-,24-,25-,26+,27+,28+,29+/m1/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](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)OC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C29H53O19P3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-22(30)43-19-21(45-23(31)17-4-2)20-44-51(41,42)48-27-24(32)25(33)28(46-49(35,36)37)29(26(27)34)47-50(38,39)40/h6-7,9-10,21,24-29,32-34H,3-5,8,11-20H2,1-2H3,(H,41,42)(H2,35,36,37)(H2,38,39,40)/b7-6-,10-9-/t21-,24-,25-,26+,27+,28+,29+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5]/[CH:6]=[CH:7]\[CH2:8]/[CH:9]=[CH:10]\[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:18][C:22](=[O:30])[O:43][CH2:19][C@H:21]([CH2:20][O:44][P:51]([OH:41])(=[O:42])[O:48][C@H:27]1[C@H:24]([OH:32])[C@@H:25]([OH:33])[C@H:28]([O:46][P:49]([OH:35])([OH:36])=[O:37])[C@@H:29]([O:47][P:50]([OH:38])([OH:39])=[O:40])[C@H:26]1[OH:34])[O:45][C:23]([CH2:17][CH2:4][CH3:2])=[O:31] |
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