| Properties | Image |
MNX_ID | MNXM344149 |
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reference | slm:000025630 |
formula | C25H41O8P |
global charge | -2 |
mol weight | 500.569 |
InChIKey | GHISFASOQLLTCX-JPQJWOPZSA-L |
InChI | InChI=1S/C25H43O8P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25(27)33-23(22-32-34(28,29)30)21-31-24(26)19-4-2/h5-6,8-9,11-12,23H,3-4,7,10,13-22H2,1-2H3,(H2,28,29,30)/p-2/b6-5-,9-8-,12-11-/t23-/m1/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])[O-] |
MNX internals
InChI (mnx) | InChI=1/C25H43O8P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25(27)33-23(22-32-34(28,29)30)21-31-24(26)19-4-2/h5-6,8-9,11-12,23H,3-4,7,10,13-22H2,1-2H3,(H2,28,29,30)/b6-5-,9-8-,12-11-/t23-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:20][C:25](=[O:27])[O:33][C@H:23]([CH2:21][O:31][C:24]([CH2:19][CH2:4][CH3:2])=[O:26])[CH2:22][O:32][P:34]([OH:28])([OH:29])=[O:30] |
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