1-(11E-octadecenoyl)-2-acetyl-sn-glycero-3-phosphocholine

Properties Image MNX_ID MNXM192085 reference slm:000008056 formula C28H54NO8P global charge 0 mol weight 563.713 InChIKey YAXUNTDVFNDDAD-ZPIZUECNSA-N InChI InChI=1S/C28H54NO8P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28(31)34-24-27(37-26(2)30)25-36-38(32,33)35-23-22-29(3,4)5/h11-12,27H,6-10,13-25H2,1-5H3/b12-11+/t27-/m1/s1 SMILES CCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(C)=O MNX internals InChI (mnx) InChI=1/C28H54NO8P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28(31)34-24-27(37-26(2)30)25-36-38(32,33)35-23-22-29(3,4)5/h11-12,27H,6-10,13-25H2,1-5H3/b12-11+/t27-/m1/s1 SMILES (mnx) [CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]/[CH:11]=[CH:12]/[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][C:28](=[O:31])[O:34][CH2:24][C@H:27]([CH2:25][O:36][P:38](=[O:32])([O-:33])[O:35][CH2:23][CH2:22][N+:29]([CH3:3])([CH3:4])[CH3:5])[O:37][C:26]([CH3:2])=[O:30]

Parent-child relations graph

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