PC(18:2(9Z,12Z)/16:1(9Z))

Properties Image MNX_ID MNXM69712 reference chebi:89601 formula C42H78NO8P global charge 0 mol weight 756.059 InChIKey PPCVNZFMCABQCL-KXESGEQTSA-N InChI InChI=1S/C42H78NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h14,16-17,19-21,40H,6-13,15,18,22-39H2,1-5H3/b16-14-,19-17-,21-20-/t40-/m1/s1 SMILES CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCC MNX internals InChI (mnx) InChI=1/C42H78NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h14,16-17,19-21,40H,6-13,15,18,22-39H2,1-5H3/b16-14-,19-17-,21-20-/t40-/m1/s1 SMILES (mnx) [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:21]\[CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][C:41](=[O:44])[O:48][CH2:38][C@H:40]([CH2:39][O:50][P:52](=[O:46])([O-:47])[O:49][CH2:37][CH2:36][N+:43]([CH3:3])([CH3:4])[CH3:5])[O:51][C:42]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:22]/[CH:19]=[CH:17]\[CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:45]

Parent-child relations graph

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