| Properties | Image |
|---|
| MNX_ID | MNXM342980 |
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| reference | slm:000430899 |
| formula | C25H42O19P3 |
| global charge | -5 |
| mol weight | 739.514 |
| InChIKey | CDAGENRSNARUPF-BPPJGVOZSA-I |
| InChI | InChI=1S/C25H47O19P3/c1-3-4-5-6-7-8-9-10-11-12-13-14-19(27)41-18(15-39-17(2)26)16-40-47(37,38)44-23-20(28)21(29)24(42-45(31,32)33)25(22(23)30)43-46(34,35)36/h6-7,18,20-25,28-30H,3-5,8-16H2,1-2H3,(H,37,38)(H2,31,32,33)(H2,34,35,36)/p-5/b7-6-/t18-,20-,21-,22+,23+,24+,25+/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=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/C25H47O19P3/c1-3-4-5-6-7-8-9-10-11-12-13-14-19(27)41-18(15-39-17(2)26)16-40-47(37,38)44-23-20(28)21(29)24(42-45(31,32)33)25(22(23)30)43-46(34,35)36/h6-7,18,20-25,28-30H,3-5,8-16H2,1-2H3,(H,37,38)(H2,31,32,33)(H2,34,35,36)/b7-6-/t18-,20-,21-,22+,23+,24+,25+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:7]\[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][C:19](=[O:27])[O:41][C@H:18]([CH2:15][O:39][C:17]([CH3:2])=[O:26])[CH2:16][O:40][P:47]([OH:37])(=[O:38])[O:44][C@H:23]1[C@H:20]([OH:28])[C@@H:21]([OH:29])[C@H:24]([O:42][P:45]([OH:31])([OH:32])=[O:33])[C@@H:25]([O:43][P:46]([OH:34])([OH:35])=[O:36])[C@H:22]1[OH:30] |
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