1'-[1,2-diacyl-sn-glycero-3-phospho],3'-[1-acyl,2-octanoyl-sn-glycero-3-phospho]-glycerol

Properties Image MNX_ID MNXM146730 reference chebi:75990 formula C20H31O17P2*3 global charge -2 mol weight   InChIKey   InChI   SMILES [*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@@H](COC([*])=O)OC(=O)CCCCCCC)OC([*])=O MNX internals InChI (mnx) InChI=1/C23H42O17P2/c1-5-6-7-8-9-10-23(28)40-22(14-34-18(3)25)16-38-42(31,32)36-12-20(27)11-35-41(29,30)37-15-21(39-19(4)26)13-33-17(2)24/h20-22,27H,5-16H2,1-4H3,(H,29,30)(H,31,32)/t20?,21-,22-/m1/s1/i2+1,3+1,4+1 SMILES (mnx) [CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][C:23](=[O:28])[O:40][C@H:22]([CH2:14][O:34][C:18]([13CH3:3])=[O:25])[CH2:16][O:38][P:42]([OH:31])(=[O:32])[O:36][CH2:12][CH:20]([CH2:11][O:35][P:41]([OH:29])(=[O:30])[O:37][CH2:15][C@@H:21]([CH2:13][O:33][C:17]([13CH3:2])=[O:24])[O:39][C:19]([13CH3:4])=[O:26])[OH:27]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 1