1-(13Z-docosenoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phosphocholine

Properties Image MNX_ID MNXM70436 reference slm:000009139 formula C50H88NO8P global charge 0 mol weight 862.227 InChIKey TXALYSQBNAXWFT-FFKTVFGFSA-N InChI InChI=1S/C50H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,29,31,35,37,48H,6-8,10,12-14,16,18-19,24-28,30,32-34,36,38-47H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,31-29-,37-35-/t48-/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)CCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C MNX internals InChI (mnx) InChI=1/C50H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,29,31,35,37,48H,6-8,10,12-14,16,18-19,24-28,30,32-34,36,38-47H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,31-29-,37-35-/t48-/m1/s1 SMILES (mnx) [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18]/[CH:20]=[CH:22]\[CH2:24][CH2:25][CH2:27][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][C:49](=[O:52])[O:56][CH2:46][C@H:48]([CH2:47][O:58][P:60](=[O:54])([O-:55])[O:57][CH2:45][CH2:44][N+:51]([CH3:3])([CH3:4])[CH3:5])[O:59][C:50]([CH2:43][CH2:41][CH2:39]/[CH:37]=[CH:35]\[CH2:33]/[CH:31]=[CH:29]\[CH2:26]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13]/[CH:11]=[CH:9]\[CH2:7][CH3:2])=[O:53]

Parent-child relations graph

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