1-O-(1Z-eicosenyl)-2-dodecanoyl-sn-glycero-3-phosphocholine

Properties Image MNX_ID MNXM71136 reference slm:000048751 formula C40H80NO7P global charge 0 mol weight 718.054 InChIKey KTAMGIBKTBSGPU-MCBGMKGZSA-N InChI InChI=1S/C40H80NO7P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-15-13-11-9-7-2/h32,35,39H,6-31,33-34,36-38H2,1-5H3/b35-32-/t39-/m1/s1 SMILES CCCCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C40H80NO7P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-15-13-11-9-7-2/h32,35,39H,6-31,33-34,36-38H2,1-5H3/b35-32-/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][CH2:28][CH2:30]/[CH:32]=[CH:35]\[O:45][CH2:37][C@H:39]([CH2:38][O:47][P:49](=[O:43])([O-:44])[O:46][CH2:36][CH2:34][N+:41]([CH3:3])([CH3:4])[CH3:5])[O:48][C:40]([CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:42]

Parent-child relations graph

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