1-butanoyl-2-nonadecanoyl-sn-glycero-3-phosphocholine

Properties Image MNX_ID MNXM344384 reference slm:000012645 formula C31H62NO8P global charge 0 mol weight 607.81 InChIKey XOPSCGQWHRPHOS-GDLZYMKVSA-N InChI InChI=1S/C31H62NO8P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-31(34)40-29(27-37-30(33)23-7-2)28-39-41(35,36)38-26-25-32(3,4)5/h29H,6-28H2,1-5H3/t29-/m1/s1 SMILES CCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])OCC[N+](C)(C)C MNX internals InChI (mnx) InChI=1/C31H62NO8P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-31(34)40-29(27-37-30(33)23-7-2)28-39-41(35,36)38-26-25-32(3,4)5/h29H,6-28H2,1-5H3/t29-/m1/s1 SMILES (mnx) [CH3:1][CH2:6][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:24][C:31](=[O:34])[O:40][C@H:29]([CH2:27][O:37][C:30]([CH2:23][CH2:7][CH3:2])=[O:33])[CH2:28][O:39][P:41](=[O:35])([O-:36])[O:38][CH2:26][CH2:25][N+:32]([CH3:3])([CH3:4])[CH3:5]

Parent-child relations graph

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