CHEBI:137521 - (2Z,10Z)-3-hydroxy-5,17-dioxo-4,5-secoestra-2,10-diene-3-oate

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ChEBI Name (2Z,10Z)-3-hydroxy-5,17-dioxo-4,5-secoestra-2,10-diene-3-oate ChEBI ID CHEBI:137521 ChEBI ASCII Name (2Z,10Z)-3-hydroxy-5,17-dioxo-4,5-secoestra-2,10-diene-3-oate Definition A steroid acid anion that is the conjugate base of (2Z,10Z)-3-hydroxy-5,17-dioxo-4,5-secoestra-2,10-diene-3-oic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. A meta-cleavage metabolite in the estrogen degradation pathway. Stars This entity has been manually annotated by the ChEBI Team. Submitter Nevila Nouspikel 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 C18H21O5 Net Charge -1 Average Mass 317.357 Monoisotopic Mass 317.13945 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)/p-1/b12-3-,15-6-/t10-,11+,13-,18-/m0/s1 InChIKey JRZZGZUMLBSRII-XPRWOFODSA-M 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-oate (CHEBI:137521) has role bacterial metabolite (CHEBI:76969) (2Z,10Z)-3-hydroxy-5,17-dioxo-4,5-secoestra-2,10-diene-3-oate (CHEBI:137521) is a steroid acid anion (CHEBI:50160) (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) Incoming (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) IUPAC Name (2Z,4Z)-2-hydroxy-4-[(3aS,5aS,9aS,9bS)-3a-methyl-3,7-dioxododecahydro-6H-cyclopenta[a]naphthalen-6-ylidene]but-2-enoate Synonyms Sources (2Z,10Z)-3-hydroxy-5,17-dioxo-4,5-secoestra-2,10-diene-3-oate UniProt (2Z,10Z)-4,5-secoestra-2-10-diene-3-ol-5,17-dione-3-oate SUBMITTER Citation Type Source 28552583 PubMed citation SUBMITTER Last Modified 22 August 2017