1-(8Z,11Z,14Z-eicosatrienoyl)-2-heptadecanoyl-sn-glycero-3-phosphocholine

Properties Image MNX_ID MNXM70142 reference slm:000011697 formula C45H84NO8P global charge 0 mol weight 798.14 InChIKey XIVZNBVOCXMYQL-AVYTWQJSSA-N InChI InChI=1S/C45H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-26-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46(3,4)5)54-45(48)38-36-34-32-30-28-25-21-19-17-15-13-11-9-7-2/h14,16,20,22,24,26,43H,6-13,15,17-19,21,23,25,27-42H2,1-5H3/b16-14-,22-20-,26-24-/t43-/m1/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C45H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-26-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46(3,4)5)54-45(48)38-36-34-32-30-28-25-21-19-17-15-13-11-9-7-2/h14,16,20,22,24,26,43H,6-13,15,17-19,21,23,25,27-42H2,1-5H3/b16-14-,22-20-,26-24-/t43-/m1/s1 SMILES (mnx) [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:23]/[CH:24]=[CH:26]\[CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:44](=[O:47])[O:51][CH2:41][C@H:43]([CH2:42][O:53][P:55](=[O:49])([O-:50])[O:52][CH2:40][CH2:39][N+:46]([CH3:3])([CH3:4])[CH3:5])[O:54][C:45]([CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:25][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:48]

Parent-child relations graph

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