| Properties | Image |
|---|
| MNX_ID | MNXM331147 |
 |
| reference | slm:000443378 |
| formula | C35H61O22P4 |
| global charge | -7 |
| mol weight | 957.747 |
| InChIKey | KXVMVBNEWSSEMH-LDFUCVKNSA-G |
| InChI | InChI=1S/C35H68O22P4/c1-3-5-7-9-11-12-13-14-15-16-18-19-21-23-28(36)51-25-27(53-29(37)24-22-20-17-10-8-6-4-2)26-52-61(49,50)57-32-30(38)33(54-58(40,41)42)35(56-60(46,47)48)34(31(32)39)55-59(43,44)45/h12-13,27,30-35,38-39H,3-11,14-26H2,1-2H3,(H,49,50)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48)/p-7/b13-12-/t27-,30+,31+,32-,33+,34-,35-/m1/s1 |
| SMILES | CCCCCC/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)CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C35H68O22P4/c1-3-5-7-9-11-12-13-14-15-16-18-19-21-23-28(36)51-25-27(53-29(37)24-22-20-17-10-8-6-4-2)26-52-61(49,50)57-32-30(38)33(54-58(40,41)42)35(56-60(46,47)48)34(31(32)39)55-59(43,44)45/h12-13,27,30-35,38-39H,3-11,14-26H2,1-2H3,(H,49,50)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48)/b13-12-/t27-,30+,31+,32-,33+,34-,35-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:12]=[CH:13]\[CH2:14][CH2:15][CH2:16][CH2:18][CH2:19][CH2:21][CH2:23][C:28](=[O:36])[O:51][CH2:25][C@H:27]([CH2:26][O:52][P:61]([OH:49])(=[O:50])[O:57][C@@H:32]1[C@H:30]([OH:38])[C@H:33]([O:54][P:58]([OH:40])([OH:41])=[O:42])[C@@H:35]([O:56][P:60]([OH:46])([OH:47])=[O:48])[C@H:34]([O:55][P:59]([OH:43])([OH:44])=[O:45])[C@H:31]1[OH:39])[O:53][C:29]([CH2:24][CH2:22][CH2:20][CH2:17][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:37] |
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