5-oxo-6E-12-epi-leukotriene B4

Properties Image MNX_ID MNXM162807 reference biggM:CE5349 formula C20H29O4 global charge -1 mol weight 333.448 InChIKey MLZJFLKEKVDNAZ-GOSISDBHSA-M InChI InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18,21H,2-5,12-13,16-17H2,1H3,(H,23,24)/p-1/t18-/m1/s1 SMILES CCCCCC=CC[C@@H](O)C=CC=CC=CC(=O)CCCC(=O)[O-] MNX internals InChI (mnx) InChI=1/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18,21H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7?,9-6?,14-10?,15-11?/t18-/m1/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH:6]=[CH:9][CH2:13][C@H:18]([CH:14]=[CH:10][CH:7]=[CH:8][CH:11]=[CH:15][C:19]([CH2:16][CH2:12][CH2:17][C:20](=[O:23])[OH:24])=[O:22])[OH:21]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 6