1-(7Z,10Z,13Z,16Z-docosatetraenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine

Properties Image MNX_ID MNXM70506 reference slm:000011372 formula C48H86NO8P global charge 0 mol weight 836.189 InChIKey HWRNDLGQJATPMI-IJJPCNHRSA-N InChI InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h14,16,20-22,24-26,28,30,46H,6-13,15,17-19,23,27,29,31-45H2,1-5H3/b16-14-,22-20-,25-24-,26-21-,30-28-/t46-/m1/s1 SMILES CCCCC/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)CCCCCCC/C=C\CCCCCCCC MNX internals InChI (mnx) InChI=1/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h14,16,20-22,24-26,28,30,46H,6-13,15,17-19,23,27,29,31-45H2,1-5H3/b16-14-,22-20-,25-24-,26-21-,30-28-/t46-/m1/s1 SMILES (mnx) [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:27]/[CH:28]=[CH:30]\[CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:47](=[O:50])[O:54][CH2:44][C@H:46]([CH2:45][O:56][P:58](=[O:52])([O-:53])[O:55][CH2:43][CH2:42][N+:49]([CH3:3])([CH3:4])[CH3:5])[O:57][C:48]([CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29]/[CH:26]=[CH:21]\[CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:51]

Parent-child relations graph

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