4,9-DHSA

General

Type : Inden

Chemical_Nomenclature : (2E,4Z)-8-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-2,3,3a,4,6,7-hexahydroinden-4-yl]-1-hydroxy-5-methyl-1,6-dioxoocta-2,4-dien-2-olate, (2E,4Z)-8-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-2,3,3a,4,6,7-hexahydroinden-4-yl]-2-hydroxy-5-methyl-6-oxoocta-2,4-dienoic acid

Canonical SMILES : CC(=CC=C(C(=O)O)[O-])C(=O)CCC1C2CCC(=O)C2(CCC1=O)C || CC(=CC=C(C(=O)O)O)C(=O)CCC1C2CCC(=O)C2(CCC1=O)C

InChI : InChI=1S\/C19H24O6\/c1-11(3-6-16(22)18(24)25)14(20)7-4-12-13-5-8-17(23)19(13,2)10-9-15(12)21\/h3,6,12-13,22H,4-5,7-10H2,1-2H3,(H,24,25)\/p-1\/b11-3-,16-6+\/t12-,13-,19-\/m0\/s1 || InChI=1S\/C19H24O6\/c1-11(3-6-16(22)18(24)25)14(20)7-4-12-13-5-8-17(23)19(13,2)10-9-15(12)21\/h3,6,12-13,22H,4-5,7-10H2,1-2H3,(H,24,25)\/b11-3-,16-6+\/t12-,13-,19-\/m0\/s1

InChIKey : HRJXKKSJPNWKCP-PBEJIIKFSA-M || HRJXKKSJPNWKCP-PBEJIIKFSA-N

Other name(s) : CHEBI:58607  ||  5-dioxooctahydro-1H-inden-4-yl]-6-oxoocta-2,4-dienoate  ||  (3E,1Z)-4,5-9,10-Diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate  ||  3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oic acid  ||  3-Hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate  ||  CHEBI:29086  ||  (2E,4Z)-8-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-2,3,3a,4,6,7-hexahydroinden-4-yl]-2-hydroxy-5-methyl-6-oxoocta-2,4-dienoic acid


MW : 347.4 || 348.4

Formula : C19H23O6- || C19H24O6

CAS_number :

PubChem : 54710088,    15944650

UniChem : HRJXKKSJPNWKCP-PBEJIIKFSA-M,    HRJXKKSJPNWKCP-PBEJIIKFSA-N

Target

References (5)

Title : Characterization of a carbon-carbon hydrolase from Mycobacterium tuberculosis involved in cholesterol metabolism - Lack_2010_J.Biol.Chem_285_434
Author(s) : Lack NA , Yam KC , Lowe ED , Horsman GP , Owen RL , Sim E , Eltis LD
Ref : Journal of Biological Chemistry , 285 :434 , 2010
Abstract :
PubMedSearch : Lack_2010_J.Biol.Chem_285_434
PubMedID: 19875455
Gene_locus related to this paper: myctu-Rv3569c

Title : Structure of HsaD, a steroid-degrading hydrolase, from Mycobacterium tuberculosis - Lack_2008_Acta.Crystallogr.Sect.F.Struct.Biol.Cryst.Commun_64_2
Author(s) : Lack N , Lowe ED , Liu J , Eltis LD , Noble ME , Sim E , Westwood IM
Ref : Acta Crystallographica Sect F Struct Biol Cryst Commun , 64 :2 , 2008
Abstract :
PubMedSearch : Lack_2008_Acta.Crystallogr.Sect.F.Struct.Biol.Cryst.Commun_64_2
PubMedID: 18097091
Gene_locus related to this paper: myctu-Rv3569c

Title : A gene cluster encoding cholesterol catabolism in a soil actinomycete provides insight into Mycobacterium tuberculosis survival in macrophages - Van der Geize_2007_Proc.Natl.Acad.Sci.U.S.A_104_1947
Author(s) : Van der Geize R , Yam K , Heuser T , Wilbrink MH , Hara H , Anderton MC , Sim E , Dijkhuizen L , Davies JE , Mohn WW , Eltis LD
Ref : Proc Natl Acad Sci U S A , 104 :1947 , 2007
Abstract :
PubMedSearch : Van der Geize_2007_Proc.Natl.Acad.Sci.U.S.A_104_1947
PubMedID: 17264217
Gene_locus related to this paper: myctu-Rv3569c

Title : Identification of 9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid, 4-hydroxy-2-oxohexanoic acid, and 2-hydroxyhexa-2,4-dienoic acid and related enzymes involved in testosterone degradation in Comamonas testosteroni TA441 - Horinouchi_2005_Appl.Environ.Microbiol_71_5275
Author(s) : Horinouchi M , Hayashi T , Koshino H , Kurita T , Kudo T
Ref : Applied Environmental Microbiology , 71 :5275 , 2005
Abstract :
PubMedSearch : Horinouchi_2005_Appl.Environ.Microbiol_71_5275
PubMedID: 16151114
Gene_locus related to this paper: comte-TESD

Title : Steroid degradation gene cluster of Comamonas testosteroni consisting of 18 putative genes from meta-cleavage enzyme gene tesB to regulator gene tesR - Horinouchi_2004_Biochem.Biophys.Res.Commun_324_597
Author(s) : Horinouchi M , Kurita T , Yamamoto T , Hatori E , Hayashi T , Kudo T
Ref : Biochemical & Biophysical Research Communications , 324 :597 , 2004
Abstract :
PubMedSearch : Horinouchi_2004_Biochem.Biophys.Res.Commun_324_597
PubMedID: 15474469