PC(19:1(9Z)/18:3(6Z,9Z,12Z))

Properties Image MNX_ID MNXM69937 reference lipidmapsM:LMGP01011770 formula C45H82NO8P global charge 0 mol weight 796.124 InChIKey BCDNKFJGWZWEDN-BYYIVDLPSA-N InChI InChI=1S/C45H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46(3,4)5)54-45(48)38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h15,17,21-24,28,30,43H,6-14,16,18-20,25-27,29,31-42H2,1-5H3/b17-15-,23-21-,24-22-,30-28-/t43-/m1/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C MNX internals InChI (mnx) InChI=1/C45H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46(3,4)5)54-45(48)38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h15,17,21-24,28,30,43H,6-14,16,18-20,25-27,29,31-42H2,1-5H3/b17-15-,23-21-,24-22-,30-28-/t43-/m1/s1 SMILES (mnx) [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20]/[CH:22]=[CH:24]\[CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:44](=[O:47])[O:51][CH2:41][C@H:43]([CH2:42][O:53][P:55](=[O:49])([O-:50])[O:52][CH2:40][CH2:39][N+:46]([CH3:3])([CH3:4])[CH3:5])[O:54][C:45]([CH2:38][CH2:36][CH2:34][CH2:32]/[CH:30]=[CH:28]\[CH2:26]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:48]

Parent-child relations graph

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