2.0 2012-05-31 14:28:52 -0600 2015-06-03 17:19:22 -0600 ECMDB20126 M2MDB000974 Bromobenzene-3,4-oxide Bromobenzene-3,4-oxide is a member of the chemical class known as Organic Compounds. These are compounds containing at least one carbon atom. 3-Bromo-7-oxabicyclo(4.1.0)hepta-2,4-diene Bromobenzene 3,4-oxide Bromobenzene-3,4-epoxide C6H5BrO 173.007 171.952377429 3-bromo-7-oxabicyclo[4.1.0]hepta-2,4-diene bromobenzene 3,4-oxide 51981-75-0 BrC1=CC2OC2C=C1 InChI=1S/C6H5BrO/c7-4-1-2-5-6(3-4)8-5/h1-3,5-6H FVTNDWDQRAAPCD-UHFFFAOYSA-N Outer membrane Inner membrane logp 1.58 ALOGPS logs -1.58 ALOGPS solubility 4.50e+00 g/l ALOGPS logp 1.36 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 3-bromo-7-oxabicyclo[4.1.0]hepta-2,4-diene ChemAxon average_mass 173.007 ChemAxon mono_mass 171.952377429 ChemAxon smiles BrC1=CC2OC2C=C1 ChemAxon formula C6H5BrO ChemAxon inchi InChI=1S/C6H5BrO/c7-4-1-2-5-6(3-4)8-5/h1-3,5-6H ChemAxon inchikey FVTNDWDQRAAPCD-UHFFFAOYSA-N ChemAxon polar_surface_area 12.53 ChemAxon refractivity 36.59 ChemAxon polarizability 12.84 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon glutathione metabolism III The biosynthesis of glutathione starts with the introduction of L-glutamic acid through either a glutamate:sodium symporter, glutamate / aspartate : H+ symporter GltP or a glutamate / aspartate ABC transporter. Once in the cytoplasm, L-glutamice acid reacts with L-cysteine through an ATP glutamate-cysteine ligase resulting in gamma-glutamylcysteine. This compound reacts which Glycine through an ATP driven glutathione synthetase thus catabolizing Glutathione. This compound is metabolized through a spontaneous reaction with an oxidized glutaredoxin resulting in a reduced glutaredoxin and an oxidized glutathione. This compound is reduced by a NADPH glutathione reductase resulting in a glutathione. PW002018 Metabolic Specdb::CMs 34008 Specdb::CMs 148031 Specdb::NmrOneD 58572 Specdb::NmrOneD 58573 Specdb::NmrOneD 58574 Specdb::NmrOneD 58575 Specdb::NmrOneD 58576 Specdb::NmrOneD 58577 Specdb::NmrOneD 58578 Specdb::NmrOneD 58579 Specdb::NmrOneD 58580 Specdb::NmrOneD 58581 Specdb::NmrOneD 58582 Specdb::NmrOneD 58583 Specdb::NmrOneD 58584 Specdb::NmrOneD 58585 Specdb::NmrOneD 58586 Specdb::NmrOneD 58587 Specdb::NmrOneD 58588 Specdb::NmrOneD 58589 Specdb::NmrOneD 58590 Specdb::NmrOneD 58591 Specdb::MsMs 26195 Specdb::MsMs 26196 Specdb::MsMs 26197 Specdb::MsMs 32753 Specdb::MsMs 32754 Specdb::MsMs 32755 108121 97214 C14839 Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. 22080510 Glutathione S-transferase P0A9D2 GST_ECOLI gst http://ecmdb.ca/proteins/P0A9D2.xml GSH-dependent disulfide bond oxidoreductase P77526 yfcG http://ecmdb.ca/proteins/P77526.xml Bromobenzene-3,4-oxide + Glutathione <> 3,4-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene R07069 Bromobenzene-3,4-oxide + Glutathione < 3,4-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene PW_R005900