1-(13Z,16Z,19Z,22Z,25Z-octacosapentaenoyl)-2-(15-methylhexadecanoyl)-sn-glycero-3-phosphocholine

Properties Image MNX_ID MNXM216041 reference slm:000008885 formula C53H96NO8P global charge 0 mol weight 906.324 InChIKey ADSSSCRDGOKTHX-NOPDZLIKSA-N InChI InChI=1S/C53H96NO8P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-32-35-38-41-44-52(55)59-48-51(49-61-63(57,58)60-47-46-54(4,5)6)62-53(56)45-42-39-36-33-30-27-28-31-34-37-40-43-50(2)3/h8-9,11-12,14-15,17-18,20-21,50-51H,7,10,13,16,19,22-49H2,1-6H3/b9-8-,12-11-,15-14-,18-17-,21-20-/t51-/m1/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C53H96NO8P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-32-35-38-41-44-52(55)59-48-51(49-61-63(57,58)60-47-46-54(4,5)6)62-53(56)45-42-39-36-33-30-27-28-31-34-37-40-43-50(2)3/h8-9,11-12,14-15,17-18,20-21,50-51H,7,10,13,16,19,22-49H2,1-6H3/b9-8-,12-11-,15-14-,18-17-,21-20-/t51-/m1/s1 SMILES (mnx) [CH3:1][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:29][CH2:32][CH2:35][CH2:38][CH2:41][CH2:44][C:52](=[O:55])[O:59][CH2:48][C@H:51]([CH2:49][O:61][P:63](=[O:57])([O-:58])[O:60][CH2:47][CH2:46][N+:54]([CH3:4])([CH3:5])[CH3:6])[O:62][C:53]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:27][CH2:28][CH2:31][CH2:34][CH2:37][CH2:40][CH2:43][CH:50]([CH3:2])[CH3:3])=[O:56]

Parent-child relations graph

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