1-heneicosanoyl-2-dodecanoyl-sn-glycero-3-phosphocholine

Properties Image MNX_ID MNXM70302 reference slm:000013032 formula C41H82NO8P global charge 0 mol weight 748.08 InChIKey ZEQNNYKWRFDTGA-LDLOPFEMSA-N InChI InChI=1S/C41H82NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-26-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42(3,4)5)50-41(44)34-32-30-28-25-15-13-11-9-7-2/h39H,6-38H2,1-5H3/t39-/m1/s1 SMILES CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C41H82NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-26-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42(3,4)5)50-41(44)34-32-30-28-25-15-13-11-9-7-2/h39H,6-38H2,1-5H3/t39-/m1/s1 SMILES (mnx) [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:26][CH2:27][CH2:29][CH2:31][CH2:33][C:40](=[O:43])[O:47][CH2:37][C@H:39]([CH2:38][O:49][P:51](=[O:45])([O-:46])[O:48][CH2:36][CH2:35][N+:42]([CH3:3])([CH3:4])[CH3:5])[O:50][C:41]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:25][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:44]

Parent-child relations graph

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