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

Properties Image MNX_ID MNXM70501 reference slm:000011381 formula C47H86NO8P global charge 0 mol weight 824.178 InChIKey JCYSDSGFJMRSIU-HJKQVIPSSA-N InChI InChI=1S/C47H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-28-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48(3,4)5)56-47(50)40-38-36-34-32-30-27-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,28-29,45H,6-13,15,17-19,21,23,26-27,30-44H2,1-5H3/b16-14-,22-20-,25-24-,29-28-/t45-/m1/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C47H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-28-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48(3,4)5)56-47(50)40-38-36-34-32-30-27-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,28-29,45H,6-13,15,17-19,21,23,26-27,30-44H2,1-5H3/b16-14-,22-20-,25-24-,29-28-/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:28]=[CH:29]\[CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][C:46](=[O:49])[O:53][CH2:43][C@H:45]([CH2:44][O:55][P:57](=[O:51])([O-:52])[O:54][CH2:42][CH2:41][N+:48]([CH3:3])([CH3:4])[CH3:5])[O:56][C:47]([CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:27][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:50]

Parent-child relations graph

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