1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-dodecanoyl-sn-glycero-3-phosphocholine

Properties Image MNX_ID MNXM70603 reference slm:000010509 formula C42H72NO8P global charge 0 mol weight 750.011 InChIKey INQCGUGXLVGZHD-SKUWQWPXSA-N InChI InChI=1S/C42H72NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-27-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-26-15-13-11-9-7-2/h8,10,14,16,18-19,21-22,24-25,28,30,40H,6-7,9,11-13,15,17,20,23,26-27,29,31-39H2,1-5H3/b10-8-,16-14-,19-18-,22-21-,25-24-,30-28-/t40-/m1/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C42H72NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-27-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-26-15-13-11-9-7-2/h8,10,14,16,18-19,21-22,24-25,28,30,40H,6-7,9,11-13,15,17,20,23,26-27,29,31-39H2,1-5H3/b10-8-,16-14-,19-18-,22-21-,25-24-,30-28-/t40-/m1/s1 SMILES (mnx) [CH3:1][CH2:6]/[CH:8]=[CH:10]\[CH2:12]/[CH:14]=[CH:16]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:27]/[CH:28]=[CH:30]\[CH2:32][CH2:34][C:41](=[O:44])[O:48][CH2:38][C@H:40]([CH2:39][O:50][P:52](=[O:46])([O-:47])[O:49][CH2:37][CH2:36][N+:43]([CH3:3])([CH3:4])[CH3:5])[O:51][C:42]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:26][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:45]

Parent-child relations graph

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