W-carboxy leukotriene B4

Properties Image MNX_ID MNXM22450 reference biggM:leuktrB4wcooh formula C20H28O6 global charge -2 mol weight 364.438 InChIKey SXWGPVJGNOLNHT-DZLHYERWSA-L InChI InChI=1S/C20H30O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-8,12-13,17-18,21-22H,1,3,9-11,14-16H2,(H,23,24)(H,25,26)/p-2/b5-4?,6-2-,12-7+,13-8-/t17-,18-/m1/s1 SMILES O=C([O-])CCCC/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)[O-] MNX internals InChI (mnx) InChI=1/C20H30O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-8,12-13,17-18,21-22H,1,3,9-11,14-16H2,(H,23,24)(H,25,26)/b5-4-,6-2-,12-7+,13-8-/t17-,18-/m1/s1 SMILES (mnx) [CH2:1](/[CH:2]=[CH:6]\[CH2:11][C@H:17](/[CH:12]=[CH:7]/[CH:4]=[CH:5]\[CH:8]=[CH:13]/[C@H:18]([CH2:14][CH2:10][CH2:16][C:20](=[O:25])[OH:26])[OH:22])[OH:21])[CH2:3][CH2:9][CH2:15][C:19](=[O:23])[OH:24]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 8 in models (compartimentalized) 15