1-heptadecanoyl-2-(13Z,16Z-docosadienoyl)-sn-glycero-3-phosphoethanolamine

Properties Image MNX_ID MNXM71524 reference slm:000035490 formula C44H84NO8P global charge 0 mol weight 786.129 InChIKey QZLCFKDKEIAKLH-GZHHDXNOSA-N InChI InChI=1S/C44H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45)40-50-43(46)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h11,13,17,19,42H,3-10,12,14-16,18,20-41,45H2,1-2H3,(H,48,49)/b13-11-,19-17-/t42-/m1/s1 SMILES CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[NH3+] MNX internals InChI (mnx) InChI=1/C44H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45)40-50-43(46)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h11,13,17,19,42H,3-10,12,14-16,18,20-41,45H2,1-2H3,(H,48,49)/b13-11-,19-17-/t42-/m1/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20][CH2:21][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:44](=[O:47])[O:53][C@H:42]([CH2:40][O:50][C:43]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:46])[CH2:41][O:52][P:54]([OH:48])(=[O:49])[O:51][CH2:39][CH2:38][NH2:45]

Parent-child relations graph

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