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

Properties Image MNX_ID MNXM70675 reference slm:000013870 formula C54H98NO8P global charge 0 mol weight 920.351 InChIKey UZTHJRIGJWALIL-BGNICSNZSA-N InChI InChI=1S/C54H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-30-32-34-36-38-40-42-44-46-53(56)60-50-52(51-62-64(58,59)61-49-48-55(3,4)5)63-54(57)47-45-43-41-39-37-35-33-31-28-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,28,31,35,37,52H,6-8,10,12-14,16,18-20,22,24-27,29-30,32-34,36,38-51H2,1-5H3/b11-9-,17-15-,23-21-,31-28-,37-35-/t52-/m1/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C MNX internals InChI (mnx) InChI=1/C54H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-30-32-34-36-38-40-42-44-46-53(56)60-50-52(51-62-64(58,59)61-49-48-55(3,4)5)63-54(57)47-45-43-41-39-37-35-33-31-28-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,28,31,35,37,52H,6-8,10,12-14,16,18-20,22,24-27,29-30,32-34,36,38-51H2,1-5H3/b11-9-,17-15-,23-21-,31-28-,37-35-/t52-/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][CH2:26][CH2:27][CH2:29][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][C:53](=[O:56])[O:60][CH2:50][C@H:52]([CH2:51][O:62][P:64](=[O:58])([O-:59])[O:61][CH2:49][CH2:48][N+:55]([CH3:3])([CH3:4])[CH3:5])[O:63][C:54]([CH2:47][CH2:45][CH2:43][CH2:41][CH2:39]/[CH:37]=[CH:35]\[CH2:33]/[CH:31]=[CH:28]\[CH2:25]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13]/[CH:11]=[CH:9]\[CH2:7][CH3:2])=[O:57]

Parent-child relations graph

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