1-butanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine

Properties Image MNX_ID MNXM70736 reference slm:000012633 formula C30H58NO8P global charge 0 mol weight 591.767 InChIKey IMHOVHFGWLRYFW-KYEYSNFOSA-N InChI InChI=1S/C30H58NO8P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-30(33)39-28(26-36-29(32)22-7-2)27-38-40(34,35)37-25-24-31(3,4)5/h14-15,28H,6-13,16-27H2,1-5H3/b15-14-/t28-/m1/s1 SMILES CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])OCC[N+](C)(C)C MNX internals InChI (mnx) InChI=1/C30H58NO8P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-30(33)39-28(26-36-29(32)22-7-2)27-38-40(34,35)37-25-24-31(3,4)5/h14-15,28H,6-13,16-27H2,1-5H3/b15-14-/t28-/m1/s1 SMILES (mnx) [CH3:1][CH2:6][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]/[CH:14]=[CH:15]\[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:23][C:30](=[O:33])[O:39][C@H:28]([CH2:26][O:36][C:29]([CH2:22][CH2:7][CH3:2])=[O:32])[CH2:27][O:38][P:40](=[O:34])([O-:35])[O:37][CH2:25][CH2:24][N+:31]([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