| Properties | Image |
|---|
| MNX_ID | MNXM342300 |
 |
| reference | slm:000437251 |
| formula | C26H47O16P2 |
| global charge | -3 |
| mol weight | 677.594 |
| InChIKey | KIPKSPGCEZPQDM-CQLWXYTASA-K |
| InChI | InChI=1S/C26H50O16P2/c1-17(2)13-11-9-7-5-4-6-8-10-12-14-20(28)40-19(15-38-18(3)27)16-39-44(36,37)42-26-23(31)21(29)22(30)25(24(26)32)41-43(33,34)35/h17,19,21-26,29-32H,4-16H2,1-3H3,(H,36,37)(H2,33,34,35)/p-3/t19-,21-,22-,23-,24-,25+,26-/m1/s1 |
| SMILES | CC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C26H50O16P2/c1-17(2)13-11-9-7-5-4-6-8-10-12-14-20(28)40-19(15-38-18(3)27)16-39-44(36,37)42-26-23(31)21(29)22(30)25(24(26)32)41-43(33,34)35/h17,19,21-26,29-32H,4-16H2,1-3H3,(H,36,37)(H2,33,34,35)/t19-,21-,22-,23-,24-,25+,26-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH:17]([CH3:2])[CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][C:20](=[O:28])[O:40][C@H:19]([CH2:15][O:38][C:18]([CH3:3])=[O:27])[CH2:16][O:39][P:44]([OH:36])(=[O:37])[O:42][C@@H:26]1[C@H:23]([OH:31])[C@H:21]([OH:29])[C@@H:22]([OH:30])[C@H:25]([O:41][P:43]([OH:33])([OH:34])=[O:35])[C@H:24]1[OH:32] |
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