2.0 2012-05-31 14:23:44 -0600 2015-06-03 17:19:09 -0600 ECMDB20029 M2MDB000878 1-Nitronaphthalene-7,8-oxide 1-nitronaphthalene-7,8-oxide belongs to the class of Naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. (inferred from compound structure) 7-Nitro-1a,7b-dihydronaphtho1,2-boxirene C10H7NO3 189.1675 189.042593095 7-nitro-1aH,7bH-naphtho[1,2-b]oxirene 1-nitronaphthalene-7,8-oxide O=N(=O)C1=CC=CC2=C1C1OC1C=C2 InChI=1S/C10H7NO3/c12-11(13)7-3-1-2-6-4-5-8-10(14-8)9(6)7/h1-5,8,10H JBECFHRNFSQXPM-UHFFFAOYSA-N Inner membrane Membrane Outer membrane logp 1.94 ALOGPS logs -2.52 ALOGPS solubility 5.71e-01 g/l ALOGPS logp 2.1 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 7-nitro-1aH,7bH-naphtho[1,2-b]oxirene ChemAxon average_mass 189.1675 ChemAxon mono_mass 189.042593095 ChemAxon smiles O=N(=O)C1=CC=CC2=C1C1OC1C=C2 ChemAxon formula C10H7NO3 ChemAxon inchi InChI=1S/C10H7NO3/c12-11(13)7-3-1-2-6-4-5-8-10(14-8)9(6)7/h1-5,8,10H ChemAxon inchikey JBECFHRNFSQXPM-UHFFFAOYSA-N ChemAxon polar_surface_area 58.35 ChemAxon refractivity 51.19 ChemAxon polarizability 17.52 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon glutathione metabolism II 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. Glutathione can then be degraded into various different glutathione containg compounds by reacting with a napthalene through a glutathione S-transferase PW001927 Metabolic Specdb::CMs 35604 Specdb::CMs 132703 Specdb::CMs 140437 Specdb::NmrOneD 275518 Specdb::NmrOneD 275519 Specdb::NmrOneD 275520 Specdb::NmrOneD 275521 Specdb::NmrOneD 275522 Specdb::NmrOneD 275523 Specdb::NmrOneD 275524 Specdb::NmrOneD 275525 Specdb::NmrOneD 275526 Specdb::NmrOneD 275527 Specdb::NmrOneD 275528 Specdb::NmrOneD 275529 Specdb::NmrOneD 275530 Specdb::NmrOneD 275531 Specdb::NmrOneD 275532 Specdb::NmrOneD 275533 Specdb::NmrOneD 275534 Specdb::NmrOneD 275535 Specdb::NmrOneD 275536 Specdb::NmrOneD 275537 Specdb::MsMs 27422 Specdb::MsMs 27423 Specdb::MsMs 27424 Specdb::MsMs 33980 Specdb::MsMs 33981 Specdb::MsMs 33982 11954053 10128348 C14802 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 1-Nitronaphthalene-7,8-oxide + Glutathione <> 1-Nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene R07023 1-Nitronaphthalene-7,8-oxide + Glutathione <> 1-Nitro-7-glutathionyl-8-hydroxy-7,8-dihydronaphthalene R07024 Glutathione + 1-Nitronaphthalene-7,8-oxide > 1-Nitro-7-glutathionyl-8-hydroxy-7,8-dihydronaphthalene PW_R005412 1-Nitronaphthalene-7,8-oxide + Glutathione > 1-Nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene PW_R005415 1-Nitronaphthalene-7,8-oxide + Glutathione <> 1-Nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene