| Properties | Image |
|---|
| MNX_ID | MNXM342732 |
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| reference | slm:000469270 |
| formula | C29H44O19P3 |
| global charge | -5 |
| mol weight | 789.574 |
| InChIKey | SAPTXDBGNDPBOH-JRYPZZMJSA-I |
| InChI | InChI=1S/C29H49O19P3/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)48-27-24(32)25(33)28(46-49(35,36)37)29(26(27)34)47-50(38,39)40/h4-5,7-8,10-11,13-14,22,24-29,32-34H,3,6,9,12,15-20H2,1-2H3,(H,41,42)(H2,35,36,37)(H2,38,39,40)/p-5/b5-4-,8-7-,11-10-,14-13-/t22-,24-,25+,26+,27-,28-,29-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=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/C29H49O19P3/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)48-27-24(32)25(33)28(46-49(35,36)37)29(26(27)34)47-50(38,39)40/h4-5,7-8,10-11,13-14,22,24-29,32-34H,3,6,9,12,15-20H2,1-2H3,(H,41,42)(H2,35,36,37)(H2,38,39,40)/b5-4-,8-7-,11-10-,14-13-/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]/[CH:13]=[CH: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: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] |
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