1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phosphocholine

Properties Image MNX_ID MNXM70211 reference slm:000010719 formula C50H82NO8P global charge 0 mol weight 856.179 InChIKey XWLLJQQNSJHASH-ITHLTLCDSA-N InChI InChI=1S/C50H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,25,27-28,30-31,33-34,36-37,39,48H,6-13,18-19,24,26,29,32,35,38,40-47H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,27-25-,30-28-,33-31-,36-34-,39-37-/t48-/m1/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCC[N+](C)(C)C MNX internals InChI (mnx) InChI=1/C50H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,25,27-28,30-31,33-34,36-37,39,48H,6-13,18-19,24,26,29,32,35,38,40-47H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,27-25-,30-28-,33-31-,36-34-,39-37-/t48-/m1/s1 SMILES (mnx) [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:24]/[CH:25]=[CH:27]\[CH2:29]/[CH:31]=[CH:33]\[CH2:35]/[CH:37]=[CH:39]\[CH2:41][CH2:43][C:50](=[O:53])[O:59][C@H:48]([CH2:46][O:56][C:49]([CH2:42][CH2:40][CH2:38]/[CH:36]=[CH:34]\[CH2:32]/[CH:30]=[CH:28]\[CH2:26]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:52])[CH2:47][O:58][P:60](=[O:54])([O-:55])[O:57][CH2:45][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