2.0 2012-05-31 14:28:49 -0600 2015-06-03 17:19:21 -0600 ECMDB20125 M2MDB000973 Bromobenzene-2,3-oxide Bromobenzene-2,3-oxide is a member of the chemical class known as Organic Compounds. These are compounds containing at least one carbon atom. (3<i>S</i>)-2,3-epoxysqualene (3s)-2,3-Epoxysqualene (S)-squalene-2,3-epoxide 2,3-EDSQ 2,3-epoxisqualene 2,3-oxidosqualene 2-Bromo-7-oxabicyclo(4.1.0)hepta-2,4-diene Bromobenzene 2,3-oxide Bromobenzene-2,3-epoxide Oxidosqualene Squalene 2,3-epoxide Squalene 2,3-oxide C6H5BrO 173.007 171.952377429 2-bromo-7-oxabicyclo[4.1.0]hepta-2,4-diene bromobenzene 2,3-oxide 71942-12-6 BrC1=CC=CC2OC12 InChI=1S/C6H5BrO/c7-4-2-1-3-5-6(4)8-5/h1-3,5-6H RLBVUCNBWFGERE-UHFFFAOYSA-N Outer membrane Inner membrane logp 1.45 ALOGPS logs -1.58 ALOGPS solubility 4.50e+00 g/l ALOGPS logp 1.36 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 2-bromo-7-oxabicyclo[4.1.0]hepta-2,4-diene ChemAxon average_mass 173.007 ChemAxon mono_mass 171.952377429 ChemAxon smiles BrC1=CC=CC2OC12 ChemAxon formula C6H5BrO ChemAxon inchi InChI=1S/C6H5BrO/c7-4-2-1-3-5-6(4)8-5/h1-3,5-6H ChemAxon inchikey RLBVUCNBWFGERE-UHFFFAOYSA-N ChemAxon polar_surface_area 12.53 ChemAxon refractivity 36.59 ChemAxon polarizability 12.81 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Glutathione metabolism 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. PW000833 ec00480 Metabolic Specdb::CMs 36948 Specdb::CMs 172214 Specdb::NmrOneD 58532 Specdb::NmrOneD 58533 Specdb::NmrOneD 58534 Specdb::NmrOneD 58535 Specdb::NmrOneD 58536 Specdb::NmrOneD 58537 Specdb::NmrOneD 58538 Specdb::NmrOneD 58539 Specdb::NmrOneD 58540 Specdb::NmrOneD 58541 Specdb::NmrOneD 58542 Specdb::NmrOneD 58543 Specdb::NmrOneD 58544 Specdb::NmrOneD 58545 Specdb::NmrOneD 58546 Specdb::NmrOneD 58547 Specdb::NmrOneD 58548 Specdb::NmrOneD 58549 Specdb::NmrOneD 58550 Specdb::NmrOneD 58551 Specdb::MsMs 29678 Specdb::MsMs 29679 Specdb::MsMs 29680 Specdb::MsMs 36236 Specdb::MsMs 36237 Specdb::MsMs 36238 3036760 2300709 C14840 EPOXYSQUALENE 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-2,3-oxide + Glutathione <> 2,3-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene R07070 Glutathione + Bromobenzene-2,3-oxide > 2,3-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene PW_R005512