| Properties | Image |
|---|
| MNX_ID | MNXM344283 |
 |
| reference | slm:000462973 |
| formula | C25H45O16P2 |
| global charge | -3 |
| mol weight | 663.567 |
| InChIKey | OJLGJFRISYOOCD-LKTRINTESA-K |
| InChI | InChI=1S/C25H48O16P2/c1-3-5-6-7-8-9-10-11-12-14-19(27)39-17(15-37-18(26)13-4-2)16-38-43(35,36)41-25-22(30)20(28)24(21(29)23(25)31)40-42(32,33)34/h17,20-25,28-31H,3-16H2,1-2H3,(H,35,36)(H2,32,33,34)/p-3/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](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C25H48O16P2/c1-3-5-6-7-8-9-10-11-12-14-19(27)39-17(15-37-18(26)13-4-2)16-38-43(35,36)41-25-22(30)20(28)24(21(29)23(25)31)40-42(32,33)34/h17,20-25,28-31H,3-16H2,1-2H3,(H,35,36)(H2,32,33,34)/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:39][C@H:17]([CH2:15][O:37][C:18]([CH2:13][CH2:4][CH3:2])=[O:26])[CH2:16][O:38][P:43]([OH:35])(=[O:36])[O:41][C@H:25]1[C@H:22]([OH:30])[C@@H:20]([OH:28])[C@H:24]([O:40][P:42]([OH:32])([OH:33])=[O:34])[C@@H:21]([OH:29])[C@H:23]1[OH:31] |
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