1-O-hexadecyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycero-3-phosphocholine

Properties Image MNX_ID MNXM70822 reference slm:000028151 formula C46H86NO7P global charge 0 mol weight 796.168 InChIKey AARXMRRIHQKKME-DEQAVREKSA-N InChI InChI=1S/C46H86NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,27,29,45H,6-13,15,17-19,21,23,26,28,30-44H2,1-5H3/b16-14-,22-20-,25-24-,29-27-/t45-/m1/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C MNX internals InChI (mnx) InChI=1/C46H86NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,27,29,45H,6-13,15,17-19,21,23,26,28,30-44H2,1-5H3/b16-14-,22-20-,25-24-,29-27-/t45-/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:25]\[CH2:26]/[CH:27]=[CH:29]\[CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][C:46](=[O:48])[O:54][C@H:45]([CH2:43][O:51][CH2:41][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[CH2:44][O:53][P:55](=[O:49])([O-:50])[O:52][CH2:42][CH2:40][N+:47]([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