1-(9Z,12Z,15Z-octadecatrienoyl)-2-heneicosanoyl-sn-glycerol

Properties Image MNX_ID MNXM49685 reference slm:000122671 formula C42H76O5 global charge 0 mol weight 661.065 InChIKey WPYYGKVLQVQAQR-YMUGXVNQSA-N InChI InChI=1S/C42H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-42(45)47-40(38-43)39-46-41(44)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,22,40,43H,3-5,7,9-11,13,15-17,19-21,23-39H2,1-2H3/b8-6-,14-12-,22-18-/t40-/m0/s1 SMILES CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C42H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-42(45)47-40(38-43)39-46-41(44)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,22,40,43H,3-5,7,9-11,13,15-17,19-21,23-39H2,1-2H3/b8-6-,14-12-,22-18-/t40-/m0/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:42](=[O:45])[O:47][C@@H:40]([CH2:38][OH:43])[CH2:39][O:46][C:41]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24]/[CH:22]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:44]

Parent-child relations graph

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