PC(19:1(9Z)/22:4(7Z,10Z,13Z,16Z))

Properties Image MNX_ID MNXM69952 reference lipidmapsM:LMGP01011785 formula C49H88NO8P global charge 0 mol weight 850.216 InChIKey PEQJWMOOCQZGDB-PCKYNFDASA-N InChI InChI=1S/C49H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50(3,4)5)45-55-48(51)41-39-37-35-33-31-29-27-23-21-19-17-15-13-11-9-7-2/h14,16,20,22-23,25-27,30,32,47H,6-13,15,17-19,21,24,28-29,31,33-46H2,1-5H3/b16-14-,22-20-,26-25-,27-23-,32-30-/t47-/m1/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C MNX internals InChI (mnx) InChI=1/C49H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50(3,4)5)45-55-48(51)41-39-37-35-33-31-29-27-23-21-19-17-15-13-11-9-7-2/h14,16,20,22-23,25-27,30,32,47H,6-13,15,17-19,21,24,28-29,31,33-46H2,1-5H3/b16-14-,22-20-,26-25-,27-23-,32-30-/t47-/m1/s1 SMILES (mnx) [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:24]/[CH:25]=[CH:26]\[CH2:28]/[CH:30]=[CH:32]\[CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][C:49](=[O:52])[O:58][C@H:47]([CH2:45][O:55][C:48]([CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29]/[CH:27]=[CH:23]\[CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:51])[CH2:46][O:57][P:59](=[O:53])([O-:54])[O:56][CH2:44][CH2:43][N+:50]([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