1-O-eicosyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine

Properties Image MNX_ID MNXM70956 reference slm:000027980 formula C50H90NO7P global charge 0 mol weight 848.244 InChIKey CMUBJJYJAQLOOD-XSOFIKLRSA-N InChI InChI=1S/C50H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-50(52)58-49(48-57-59(53,54)56-46-44-51(3,4)5)47-55-45-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,26-27,31,33,37,39,49H,6-7,9,11-13,15,17-19,21,23-25,28-30,32,34-36,38,40-48H2,1-5H3/b10-8-,16-14-,22-20-,27-26-,33-31-,39-37-/t49-/m1/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C MNX internals InChI (mnx) InChI=1/C50H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-50(52)58-49(48-57-59(53,54)56-46-44-51(3,4)5)47-55-45-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,26-27,31,33,37,39,49H,6-7,9,11-13,15,17-19,21,23-25,28-30,32,34-36,38,40-48H2,1-5H3/b10-8-,16-14-,22-20-,27-26-,33-31-,39-37-/t49-/m1/s1 SMILES (mnx) [CH3:1][CH2:6]/[CH:8]=[CH:10]\[CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:24]/[CH:26]=[CH:27]\[CH2:29]/[CH:31]=[CH:33]\[CH2:35]/[CH:37]=[CH:39]\[CH2:41][CH2:43][C:50](=[O:52])[O:58][C@H:49]([CH2:47][O:55][CH2:45][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[CH2:48][O:57][P:59](=[O:53])([O-:54])[O:56][CH2:46][CH2:44][N+:51]([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