11,12-DiHETE

Properties Image MNX_ID MNXM33085 reference chebi:165278 formula C20H32O4 global charge 0 mol weight 336.472 InChIKey DNPZYIPMAWRQQE-BVILWSOJSA-N InChI InChI=1S/C20H32O4/c1-2-3-4-5-9-12-15-18(21)19(22)16-13-10-7-6-8-11-14-17-20(23)24/h3-4,6,8-10,12-13,18-19,21-22H,2,5,7,11,14-17H2,1H3,(H,23,24)/b4-3-,8-6-,12-9-,13-10- SMILES CC/C=C\C/C=C\CC(O)C(O)C/C=C\C/C=C\CCCC(=O)O MNX internals InChI (mnx) InChI=1/C20H32O4/c1-2-3-4-5-9-12-15-18(21)19(22)16-13-10-7-6-8-11-14-17-20(23)24/h3-4,6,8-10,12-13,18-19,21-22H,2,5,7,11,14-17H2,1H3,(H,23,24)/b4-3-,8-6-,12-9-,13-10-/t18?,19? SMILES (mnx) [CH3:1][CH2:2]/[CH:3]=[CH:4]\[CH2:5]/[CH:9]=[CH:12]\[CH2:15][CH:18]([CH:19]([CH2:16]/[CH:13]=[CH:10]\[CH2:7]/[CH:6]=[CH:8]\[CH2:11][CH2:14][CH2:17][C:20](=[O:23])[OH:24])[OH:22])[OH:21]

Parent-child relations graph

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