PC(20:1(11Z)/20:3(5Z,8Z,11Z))

Properties Image MNX_ID MNXM70032 reference lipidmapsM:LMGP01012187 formula C48H88NO8P global charge 0 mol weight 838.205 InChIKey HHXYMQKMOOHXMX-RRYCHQORSA-N InChI InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,27,29,33,35,46H,6-19,24-26,28,30-32,34,36-45H2,1-5H3/b22-20-,23-21-,29-27-,35-33-/t46-/m1/s1 SMILES CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C MNX internals InChI (mnx) InChI=1/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,27,29,33,35,46H,6-19,24-26,28,30-32,34,36-45H2,1-5H3/b22-20-,23-21-,29-27-,35-33-/t46-/m1/s1 SMILES (mnx) [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18]/[CH:20]=[CH:22]\[CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:47](=[O:50])[O:54][CH2:44][C@H:46]([CH2:45][O:56][P:58](=[O:52])([O-:53])[O:55][CH2:43][CH2:42][N+:49]([CH3:3])([CH3:4])[CH3:5])[O:57][C:48]([CH2:41][CH2:39][CH2:37]/[CH:35]=[CH:33]\[CH2:31]/[CH:29]=[CH:27]\[CH2:25]/[CH:23]=[CH:21]\[CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:51]

Parent-child relations graph

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