N-butanoyl-1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine

Properties Image MNX_ID MNXM146802 reference chebi:85298 formula C43H79NO9P global charge -1 mol weight 785.077 InChIKey QJTZZBJSNNHONP-LYJZGNKWSA-M InChI InChI=1S/C43H80NO9P/c1-4-7-9-11-13-15-17-19-20-22-24-26-28-30-32-35-43(47)53-40(39-52-54(48,49)51-37-36-44-41(45)33-6-3)38-50-42(46)34-31-29-27-25-23-21-18-16-14-12-10-8-5-2/h13,15,19-20,40H,4-12,14,16-18,21-39H2,1-3H3,(H,44,45)(H,48,49)/p-1/b15-13-,20-19-/t40-/m1/s1 SMILES CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCCNC(=O)CCC MNX internals InChI (mnx) InChI=1/C43H80NO9P/c1-4-7-9-11-13-15-17-19-20-22-24-26-28-30-32-35-43(47)53-40(39-52-54(48,49)51-37-36-44-41(45)33-6-3)38-50-42(46)34-31-29-27-25-23-21-18-16-14-12-10-8-5-2/h13,15,19-20,40H,4-12,14,16-18,21-39H2,1-3H3,(H,44,45)(H,48,49)/b15-13-,20-19-/t40-/m1/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:20]\[CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:35][C:43](=[O:47])[O:53][C@H:40]([CH2:38][O:50][C:42]([CH2:34][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:5][CH3:2])=[O:46])[CH2:39][O:52][P:54]([OH:48])(=[O:49])[O:51][CH2:37][CH2:36][N:44]=[C:41]([CH2:33][CH2:6][CH3:3])[OH:45]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 1