2.02015-06-04 15:11:39 -06002015-08-05 16:22:04 -0600ECMDB23737M2MDB004133HalideAny heteroatomic molecular entity that is a chemical compound of halogen with other chemical elements3-(4-Methylpent-3-en-1-yl)-pent-2-enedioyl-CoAIsohexenyl-glutaconyl-CoAC32H50N7O19P3S961.76961.209504586(3E)-3-{2-[(2-{3-[(2R)-3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]-2-oxoethylidene}-7-methyloct-6-enoic acid(3E)-3-{2-[(2-{3-[(2R)-3-{[({[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]methyl}-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]-2-oxoethylidene}-7-methyloct-6-enoic acidCC(C)=CCC\C(CC(O)=O)=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2NInChI=1S/C32H50N7O19P3S/c1-18(2)6-5-7-19(12-22(41)42)13-23(43)62-11-10-34-21(40)8-9-35-30(46)27(45)32(3,4)15-55-61(52,53)58-60(50,51)54-14-20-26(57-59(47,48)49)25(44)31(56-20)39-17-38-24-28(33)36-16-37-29(24)39/h6,13,16-17,20,25-27,31,44-45H,5,7-12,14-15H2,1-4H3,(H,34,40)(H,35,46)(H,41,42)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/b19-13+/t20-,25-,26-,27+,31-/m1/s1BVEJAKPMABGOEE-JQQGIELXSA-Nlogp0.17logs-2.58solubility2.53e+00 g/llogp-3.5pka_strongest_acidic0.82pka_strongest_basic5.06iupac(3E)-3-{2-[(2-{3-[(2R)-3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]-2-oxoethylidene}-7-methyloct-6-enoic acidaverage_mass961.76mono_mass961.209504586smilesCC(C)=CCC\C(CC(O)=O)=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2NformulaC32H50N7O19P3SinchiInChI=1S/C32H50N7O19P3S/c1-18(2)6-5-7-19(12-22(41)42)13-23(43)62-11-10-34-21(40)8-9-35-30(46)27(45)32(3,4)15-55-61(52,53)58-60(50,51)54-14-20-26(57-59(47,48)49)25(44)31(56-20)39-17-38-24-28(33)36-16-37-29(24)39/h6,13,16-17,20,25-27,31,44-45H,5,7-12,14-15H2,1-4H3,(H,34,40)(H,35,46)(H,41,42)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/b19-13+/t20-,25-,26-,27+,31-/m1/s1inchikeyBVEJAKPMABGOEE-JQQGIELXSA-Npolar_surface_area400.93refractivity216.88polarizability86.61rotatable_bond_count26acceptor_count19donor_count10physiological_charge-5formal_charge0Glutathione metabolismThe 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.
PW000833ec00480MetabolicMetabolism of xenobiotics by cytochrome P450ec00980Drug metabolism - cytochrome P450ec00982Specdb::EiMs4979Specdb::NmrOneD276418Specdb::NmrOneD276419Specdb::NmrOneD276420Specdb::NmrOneD276421Specdb::NmrOneD276422Specdb::NmrOneD276423Specdb::NmrOneD276424Specdb::NmrOneD276425Specdb::NmrOneD276426Specdb::NmrOneD276427Specdb::NmrOneD276428Specdb::NmrOneD276429Specdb::NmrOneD276430Specdb::NmrOneD276431Specdb::NmrOneD276432Specdb::NmrOneD276433Specdb::NmrOneD276434Specdb::NmrOneD276435Specdb::NmrOneD276436Specdb::NmrOneD276437Specdb::MsMs37979Specdb::MsMs37980Specdb::MsMs37981Specdb::MsMs40427Specdb::MsMs40428Specdb::MsMs40429C00462Glutathione S-transferaseP0A9D2GST_ECOLIgsthttp://ecmdb.ca/proteins/P0A9D2.xmlGSH-dependent disulfide bond oxidoreductaseP77526yfcGhttp://ecmdb.ca/proteins/P77526.xmlRX + Glutathione <> Halide + R-S-GlutathioneR03522 R08511 R08512 RX + Glutathione <> Halide + R-S-Glutathione