**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

20-oxo-leukotriene B4

Properties Image MNX_ID MNXM734719 reference biggM:CE2053 formula C20H29O5 global charge -1 mol weight 349.447 InChIKey LVLQYGYNBVIONY-HKQYOTMESA-M InChI InChI=1S/C20H30O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,17-19,22-23H,1-2,6,10-12,15-16H2,(H,24,25)/p-1/b5-4?,7-3-,13-8?,14-9?/t18-,19-/m1/s1 SMILES O=CCCCC/C=C\C[C@@H](O)C=CC=CC=C[C@@H](O)CCCC(=O)[O-] MNX internals InChI (mnx) InChI=1/C20H30O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,17-19,22-23H,1-2,6,10-12,15-16H2,(H,24,25)/b5-4?,7-3-,13-8?,14-9?/t18-,19-/m1/s1 SMILES (mnx) [CH2:1]([CH2:2][CH2:6][CH2:10][CH:17]=[O:21])/[CH:3]=[CH:7]\[CH2:12][C@H:18]([CH:13]=[CH:8][CH:4]=[CH:5][CH:9]=[CH:14][C@H:19]([CH2:15][CH2:11][CH2:16][C:20]([OH:24])=[O:25])[OH:23])[OH:22]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 7

Similar chemical compounds in external resources

Identifier	Description
bigg.metabolite:CE2053 biggM:CE2053 LVLQYGYNBVIONY-HKQYOTMESA-M	20-oxo-leukotriene B4
vmhM:CE2053 vmhM:CE2053 vmhmetabolite:CE2053 vmhmetabolite:CE2053 LVLQYGYNBVIONY-HKQYOTMESA-M	20-oxo-leukotriene B4 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol
biggM:M_CE2053 vmhM:M_CE2053	secondary/obsolete/fantasy identifier