1-tetracosanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phosphocholine

Properties Image MNX_ID MNXM70669 reference slm:000013862 formula C52H94NO8P global charge 0 mol weight 892.297 InChIKey JHVJYOPLFPQQDD-HENGVCRZSA-N InChI InChI=1S/C52H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-28-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,31,33,37,39,50H,6-8,10,12-14,16,18-20,22,24-30,32,34-36,38,40-49H2,1-5H3/b11-9-,17-15-,23-21-,33-31-,39-37-/t50-/m1/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C MNX internals InChI (mnx) InChI=1/C52H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-28-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,31,33,37,39,50H,6-8,10,12-14,16,18-20,22,24-30,32,34-36,38,40-49H2,1-5H3/b11-9-,17-15-,23-21-,33-31-,39-37-/t50-/m1/s1 SMILES (mnx) [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:25][CH2:26][CH2:27][CH2:29][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][C:51](=[O:54])[O:58][CH2:48][C@H:50]([CH2:49][O:60][P:62](=[O:56])([O-:57])[O:59][CH2:47][CH2:46][N+:53]([CH3:3])([CH3:4])[CH3:5])[O:61][C:52]([CH2:45][CH2:43][CH2:41]/[CH:39]=[CH:37]\[CH2:35]/[CH:33]=[CH:31]\[CH2:28]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13]/[CH:11]=[CH:9]\[CH2:7][CH3:2])=[O:55]

Parent-child relations graph

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