| Properties | Image |
|---|
| MNX_ID | MNXM215697 |
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| reference | slm:000446398 |
| formula | C37H68O19P3 |
| global charge | -5 |
| mol weight | 909.854 |
| InChIKey | OWRGSWZYKORFFB-BJDROGHISA-I |
| InChI | InChI=1S/C37H73O19P3/c1-4-5-6-7-8-9-12-16-19-22-25-31(39)53-29(26-51-30(38)24-21-18-15-13-10-11-14-17-20-23-28(2)3)27-52-59(49,50)56-37-33(41)35(54-57(43,44)45)32(40)36(34(37)42)55-58(46,47)48/h28-29,32-37,40-42H,4-27H2,1-3H3,(H,49,50)(H2,43,44,45)(H2,46,47,48)/p-5/t29-,32-,33-,34-,35-,36+,37-/m1/s1 |
| SMILES | CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC(C)C)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/C37H73O19P3/c1-4-5-6-7-8-9-12-16-19-22-25-31(39)53-29(26-51-30(38)24-21-18-15-13-10-11-14-17-20-23-28(2)3)27-52-59(49,50)56-37-33(41)35(54-57(43,44)45)32(40)36(34(37)42)55-58(46,47)48/h28-29,32-37,40-42H,4-27H2,1-3H3,(H,49,50)(H2,43,44,45)(H2,46,47,48)/t29-,32-,33-,34-,35-,36+,37-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:12][CH2:16][CH2:19][CH2:22][CH2:25][C:31](=[O:39])[O:53][C@H:29]([CH2:26][O:51][C:30]([CH2:24][CH2:21][CH2:18][CH2:15][CH2:13][CH2:10][CH2:11][CH2:14][CH2:17][CH2:20][CH2:23][CH:28]([CH3:2])[CH3:3])=[O:38])[CH2:27][O:52][P:59]([OH:49])(=[O:50])[O:56][C@@H:37]1[C@H:33]([OH:41])[C@H:35]([O:54][P:57]([OH:43])([OH:44])=[O:45])[C@@H:32]([OH:40])[C@H:36]([O:55][P:58]([OH:46])([OH:47])=[O:48])[C@H:34]1[OH:42] |
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