| Properties | Image |
MNX_ID | MNXM342390 |
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reference | slm:000475647 |
formula | C25H47O13P2 |
global charge | -3 |
mol weight | 617.586 |
InChIKey | CLIQIEUSOZKPCD-BJKOFHAPSA-K |
InChI | InChI=1S/C25H50O13P2/c1-21(2)15-13-11-9-7-5-4-6-8-10-12-14-16-25(28)38-24(19-34-22(3)26)20-37-40(32,33)36-18-23(27)17-35-39(29,30)31/h21,23-24,27H,4-20H2,1-3H3,(H,32,33)(H2,29,30,31)/p-3/t23-,24+/m0/s1 |
SMILES | CC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCCC(C)C |
MNX internals
InChI (mnx) | InChI=1/C25H50O13P2/c1-21(2)15-13-11-9-7-5-4-6-8-10-12-14-16-25(28)38-24(19-34-22(3)26)20-37-40(32,33)36-18-23(27)17-35-39(29,30)31/h21,23-24,27H,4-20H2,1-3H3,(H,32,33)(H2,29,30,31)/t23-,24+/m0/s1 |
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SMILES (mnx) | [CH3:1][CH:21]([CH3:2])[CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][C:25](=[O:28])[O:38][C@H:24]([CH2:19][O:34][C:22]([CH3:3])=[O:26])[CH2:20][O:37][P:40]([OH:32])(=[O:33])[O:36][CH2:18][C@H:23]([CH2:17][O:35][P:39]([OH:29])([OH:30])=[O:31])[OH:27] |
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