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

Properties Image MNX_ID MNXM69957 reference slm:000012954 formula C40H80NO8P global charge 0 mol weight 734.053 InChIKey OEKBHTCWCOFVKC-KXQOOQHDSA-N InChI InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-25-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-24-15-13-11-9-7-2/h38H,6-37H2,1-5H3/t38-/m1/s1 SMILES CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C40H80NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-25-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-24-15-13-11-9-7-2/h38H,6-37H2,1-5H3/t38-/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][CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][C:39](=[O:42])[O:46][CH2:36][C@H:38]([CH2:37][O:48][P:50](=[O:44])([O-:45])[O:47][CH2:35][CH2:34][N+:41]([CH3:3])([CH3:4])[CH3:5])[O:49][C:40]([CH2:33][CH2:31][CH2:29][CH2:27][CH2:24][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:43]

Parent-child relations graph

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