1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-heneicosanoyl-sn-glycero-3-phosphocholine

Properties Image MNX_ID MNXM69865 reference slm:000010985 formula C47H86NO8P global charge 0 mol weight 824.178 InChIKey CEKDLSNLKWCZGC-CJJPFGIKSA-N InChI InChI=1S/C47H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48(3,4)5)43-53-46(49)39-37-35-33-31-29-27-25-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,25,29,31,45H,6-8,10,12-14,16,18-20,22-24,26-28,30,32-44H2,1-5H3/b11-9-,17-15-,25-21-,31-29-/t45-/m1/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C47H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48(3,4)5)43-53-46(49)39-37-35-33-31-29-27-25-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,25,29,31,45H,6-8,10,12-14,16,18-20,22-24,26-28,30,32-44H2,1-5H3/b11-9-,17-15-,25-21-,31-29-/t45-/m1/s1 SMILES (mnx) [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:47](=[O:50])[O:56][C@H:45]([CH2:43][O:53][C:46]([CH2:39][CH2:37][CH2:35][CH2:33]/[CH:31]=[CH:29]\[CH2:27]/[CH:25]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13]/[CH:11]=[CH:9]\[CH2:7][CH3:2])=[O:49])[CH2:44][O:55][P:57](=[O:51])([O-:52])[O:54][CH2:42][CH2:41][N+:48]([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