| Properties | Image |
|---|
| MNX_ID | MNXM344280 |
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| reference | slm:000450174 |
| formula | C25H44O19P3 |
| global charge | -5 |
| mol weight | 741.53 |
| InChIKey | JMLAFNGHINQTNE-DICZBTHZSA-I |
| InChI | InChI=1S/C25H49O19P3/c1-3-5-6-7-8-9-10-11-12-14-19(27)41-17(15-39-18(26)13-4-2)16-40-47(37,38)44-25-21(29)23(42-45(31,32)33)20(28)24(22(25)30)43-46(34,35)36/h17,20-25,28-30H,3-16H2,1-2H3,(H,37,38)(H2,31,32,33)(H2,34,35,36)/p-5/t17-,20-,21-,22-,23-,24+,25-/m1/s1 |
| SMILES | CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC)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/C25H49O19P3/c1-3-5-6-7-8-9-10-11-12-14-19(27)41-17(15-39-18(26)13-4-2)16-40-47(37,38)44-25-21(29)23(42-45(31,32)33)20(28)24(22(25)30)43-46(34,35)36/h17,20-25,28-30H,3-16H2,1-2H3,(H,37,38)(H2,31,32,33)(H2,34,35,36)/t17-,20-,21-,22-,23-,24+,25-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:14][C:19](=[O:27])[O:41][C@H:17]([CH2:15][O:39][C:18]([CH2:13][CH2:4][CH3:2])=[O:26])[CH2:16][O:40][P:47]([OH:37])(=[O:38])[O:44][C@@H:25]1[C@H:21]([OH:29])[C@H:23]([O:42][P:45]([OH:31])([OH:32])=[O:33])[C@@H:20]([OH:28])[C@H:24]([O:43][P:46]([OH:34])([OH:35])=[O:36])[C@H:22]1[OH:30] |
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