CHEBI:138283 - (2Z,10Z)-3-hydroxy-5,17-dioxo-4,5-secoestra-2,10-diene-3-oic acid

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name (2Z,10Z)-3-hydroxy-5,17-dioxo-4,5-secoestra-2,10-diene-3-oic acid ChEBI ID CHEBI:138283 ChEBI ASCII Name (2Z,10Z)-3-hydroxy-5,17-dioxo-4,5-secoestra-2,10-diene-3-oic acid Definition An oxo seco-steroid that is a meta-cleavage metabolite in the estrogen degradation pathway; an unstable precursor to pyridinestrone acid. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C18H22O5 Net Charge 0 Average Mass 318.365 Monoisotopic Mass 318.14672 InChI InChI=1S/C18H22O5/c1-18-9-8-10-11(13(18)4-7-16(18)21)2-5-14(19)12(10)3-6-15(20)17(22)23/h3,6,10-11,13,20H,2,4-5,7-9H2,1H3,(H,22,23)/b12-3-,15-6-/t10-,11+,13-,18-/m0/s1 InChIKey JRZZGZUMLBSRII-XPRWOFODSA-N SMILES C1[C@]2([C@]3([C@@](/C(/C(CC3)=O)=C/C=C(\O)/C(=O)O)(CC[C@@]2(C(=O)C1)C)[H])[H])[H] Metabolite of Species Details Sphingomonas sp. (NCBI:txid28214) of strain KC8 See: PubMed Roles Classification Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. View more via ChEBI Ontology ChEBI Ontology Outgoing (2Z,10Z)-3-hydroxy-5,17-dioxo-4,5-secoestra-2,10-diene-3-oic acid (CHEBI:138283) has role bacterial metabolite (CHEBI:76969) (2Z,10Z)-3-hydroxy-5,17-dioxo-4,5-secoestra-2,10-diene-3-oic acid (CHEBI:138283) is a hydroxy seco-steroid (CHEBI:36853) (2Z,10Z)-3-hydroxy-5,17-dioxo-4,5-secoestra-2,10-diene-3-oic acid (CHEBI:138283) is a oxo seco-steroid (CHEBI:47836) (2Z,10Z)-3-hydroxy-5,17-dioxo-4,5-secoestra-2,10-diene-3-oic acid (CHEBI:138283) is a steroid acid (CHEBI:47891) (2Z,10Z)-3-hydroxy-5,17-dioxo-4,5-secoestra-2,10-diene-3-oic acid (CHEBI:138283) is conjugate acid of (2Z,10Z)-3-hydroxy-5,17-dioxo-4,5-secoestra-2,10-diene-3-oate (CHEBI:137521) Incoming (2Z,10Z)-3-hydroxy-5,17-dioxo-4,5-secoestra-2,10-diene-3-oate (CHEBI:137521) is conjugate base of (2Z,10Z)-3-hydroxy-5,17-dioxo-4,5-secoestra-2,10-diene-3-oic acid (CHEBI:138283) IUPAC Name (2Z,4Z)-2-hydroxy-4-[(3aS,5aS,9aS,9bS)-3a-methyl-3,7-dioxododecahydro-6H-cyclopenta[a]naphthalen-6-ylidene]but-2-enoic acid Synonym Source (2Z,10Z)-4,5-secoestra-2-10-diene-3-ol-5,17-dione-3-oic acid ChEBI Citation Type Source 28552583 PubMed citation Europe PMC Last Modified 22 August 2017