| Properties | Image |
|---|
| MNX_ID | MNXM344802 |
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| reference | slm:000469391 |
| formula | C37H66O19P3 |
| global charge | -5 |
| mol weight | 907.838 |
| InChIKey | QWAUYKLOBOOQPR-RBTGGCGRSA-I |
| InChI | InChI=1S/C37H71O19P3/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-31(39)53-29(27-51-30(38)25-23-21-19-10-8-6-4-2)28-52-59(49,50)56-35-32(40)33(41)36(54-57(43,44)45)37(34(35)42)55-58(46,47)48/h12-13,29,32-37,40-42H,3-11,14-28H2,1-2H3,(H,49,50)(H2,43,44,45)(H2,46,47,48)/p-5/b13-12+/t29-,32-,33+,34+,35-,36-,37-/m1/s1 |
| SMILES | CCCCCC/C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)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/C37H71O19P3/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-31(39)53-29(27-51-30(38)25-23-21-19-10-8-6-4-2)28-52-59(49,50)56-35-32(40)33(41)36(54-57(43,44)45)37(34(35)42)55-58(46,47)48/h12-13,29,32-37,40-42H,3-11,14-28H2,1-2H3,(H,49,50)(H2,43,44,45)(H2,46,47,48)/b13-12+/t29-,32-,33+,34+,35-,36-,37-/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][CH2:17][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][C:31](=[O:39])[O:53][C@H:29]([CH2:27][O:51][C:30]([CH2:25][CH2:23][CH2:21][CH2:19][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:38])[CH2:28][O:52][P:59]([OH:49])(=[O:50])[O:56][C@@H:35]1[C@H:32]([OH:40])[C@H:33]([OH:41])[C@@H:36]([O:54][P:57]([OH:43])([OH:44])=[O:45])[C@H:37]([O:55][P:58]([OH:46])([OH:47])=[O:48])[C@H:34]1[OH:42] |
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