1-(11Z,14Z,17Z,20Z,23Z-hexacosapentaenoyl)-2-(11-methyldodecanoyl)-sn-glycero-3-phosphoethanolamine

Properties Image MNX_ID MNXM193231 reference slm:000030579 formula C44H78NO8P global charge 0 mol weight 780.081 InChIKey APUYMLGKTJJLOZ-SHOPMSKNSA-N InChI InChI=1S/C44H78NO8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-29-32-35-43(46)50-39-42(40-52-54(48,49)51-38-37-45)53-44(47)36-33-30-27-24-25-28-31-34-41(2)3/h5-6,8-9,11-12,14-15,17-18,41-42H,4,7,10,13,16,19-40,45H2,1-3H3,(H,48,49)/b6-5-,9-8-,12-11-,15-14-,18-17-/t42-/m1/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C44H78NO8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-29-32-35-43(46)50-39-42(40-52-54(48,49)51-38-37-45)53-44(47)36-33-30-27-24-25-28-31-34-41(2)3/h5-6,8-9,11-12,14-15,17-18,41-42H,4,7,10,13,16,19-40,45H2,1-3H3,(H,48,49)/b6-5-,9-8-,12-11-,15-14-,18-17-/t42-/m1/s1 SMILES (mnx) [CH3:1][CH2:4]/[CH:5]=[CH:6]\[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][CH2:20][CH2:21][CH2:22][CH2:23][CH2:26][CH2:29][CH2:32][CH2:35][C:43](=[O:46])[O:50][CH2:39][C@H:42]([CH2:40][O:52][P:54]([OH:48])(=[O:49])[O:51][CH2:38][CH2:37][NH2:45])[O:53][C:44]([CH2:36][CH2:33][CH2:30][CH2:27][CH2:24][CH2:25][CH2:28][CH2:31][CH2:34][CH:41]([CH3:2])[CH3:3])=[O:47]

Parent-child relations graph

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