1-dodecanoyl-2-tridecanoyl-3-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycerol

Properties Image MNX_ID MNXM109288 reference slm:000126729 formula C46H82O6 global charge 0 mol weight 731.156 InChIKey PLAUEFBSACNKQS-QMUASLIUSA-N InChI InChI=1S/C46H82O6/c1-4-7-10-13-16-19-21-22-23-24-25-28-30-33-36-39-45(48)51-42-43(41-50-44(47)38-35-32-29-26-18-15-12-9-6-3)52-46(49)40-37-34-31-27-20-17-14-11-8-5-2/h16,19,22-23,25,28,43H,4-15,17-18,20-21,24,26-27,29-42H2,1-3H3/b19-16-,23-22-,28-25-/t43-/m1/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C46H82O6/c1-4-7-10-13-16-19-21-22-23-24-25-28-30-33-36-39-45(48)51-42-43(41-50-44(47)38-35-32-29-26-18-15-12-9-6-3)52-46(49)40-37-34-31-27-20-17-14-11-8-5-2/h16,19,22-23,25,28,43H,4-15,17-18,20-21,24,26-27,29-42H2,1-3H3/b19-16-,23-22-,28-25-/t43-/m1/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:28]\[CH2:30][CH2:33][CH2:36][CH2:39][C:45](=[O:48])[O:51][CH2:42][C@@H:43]([CH2:41][O:50][C:44]([CH2:38][CH2:35][CH2:32][CH2:29][CH2:26][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:47])[O:52][C:46]([CH2:40][CH2:37][CH2:34][CH2:31][CH2:27][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:49]

Parent-child relations graph

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