5R,8S-diHETE

Properties Image MNX_ID MNXM1130494 reference lipidmapsM:LMFA03060114 formula C20H32O4 global charge 0 mol weight 336.472 InChIKey KZQRVAKWSSAWBB-ZIYPRYFQSA-N InChI InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-13-18(21)16-17-19(22)14-12-15-20(23)24/h6-7,9-11,13,16-19,21-22H,2-5,8,12,14-15H2,1H3,(H,23,24)/b7-6-,10-9-,13-11+,17-16-/t18-,19+/m0/s1 SMILES CCCCC/C=C\C/C=C\C=C\[C@H](O)/C=C\[C@H](O)CCCC(=O)O MNX internals InChI (mnx) InChI=1/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-13-18(21)16-17-19(22)14-12-15-20(23)24/h6-7,9-11,13,16-19,21-22H,2-5,8,12,14-15H2,1H3,(H,23,24)/b7-6-,10-9-,13-11+,17-16-/t18-,19+/m0/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:7]\[CH2:8]/[CH:9]=[CH:10]\[CH:11]=[CH:13]\[C@@H:18](/[CH:16]=[CH:17]\[C@@H:19]([CH2:14][CH2:12][CH2:15][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