PC(P-18:0/P-18:1(9Z))

Properties Image MNX_ID MNXM129085 reference hmdb:HMDB0011268 formula C44H86NO6P global charge 0 mol weight 756.147 InChIKey WMOITMSBEGXTBM-XFCCLYIASA-N InChI InChI=1S/C44H86NO6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-48-42-44(43-51-52(46,47)50-41-38-45(3,4)5)49-40-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,36-37,39-40,44H,6-20,22,24-35,38,41-43H2,1-5H3/b23-21-,39-36-,40-37-/t44-/m1/s1 SMILES CCCCCCCC/C=C\CCCCCC/C=C\O[C@H](CO/C=C\CCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C MNX internals InChI (mnx) InChI=1/C44H86NO6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-48-42-44(43-51-52(46,47)50-41-38-45(3,4)5)49-40-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,36-37,39-40,44H,6-20,22,24-35,38,41-43H2,1-5H3/b23-21-,39-36-,40-37-/t44-/m1/s1 SMILES (mnx) [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34]/[CH:36]=[CH:39]\[O:48][CH2:42][C@H:44]([CH2:43][O:51][P:52](=[O:46])([O-:47])[O:50][CH2:41][CH2:38][N+:45]([CH3:3])([CH3:4])[CH3:5])[O:49]/[CH:40]=[CH:37]\[CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25]/[CH:23]=[CH:21]\[CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2]

Parent-child relations graph

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