1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-2-docosanoyl-sn-glycero-3-phosphocholine

Properties Image MNX_ID MNXM70589 reference slm:000011298 formula C52H94NO8P global charge 0 mol weight 892.297 InChIKey TVHRKYMNIXCPTB-KIIYQKDZSA-N InChI InChI=1S/C52H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,26,28,32,34,50H,6-7,9,11-13,15,17-19,21,23-25,27,29-31,33,35-49H2,1-5H3/b10-8-,16-14-,22-20-,28-26-,34-32-/t50-/m1/s1 SMILES CC/C=C\C/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)CCCCCCCCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C52H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,26,28,32,34,50H,6-7,9,11-13,15,17-19,21,23-25,27,29-31,33,35-49H2,1-5H3/b10-8-,16-14-,22-20-,28-26-,34-32-/t50-/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:28]\[CH2:30]/[CH:32]=[CH: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][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][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