CHEBI:83036 - 7α-hydroxy-3-oxo-4-cholestenoic acid

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ChEBI Name 7α-hydroxy-3-oxo-4-cholestenoic acid ChEBI ID CHEBI:83036 ChEBI ASCII Name 7alpha-hydroxy-3-oxo-4-cholestenoic acid Definition A cholestanoid that is cholest-4-en-26-oic acid substituted by an α-hydroxy group at position 7 and an oxo group at position 3. It is an intermediate metabolite in the bile acid synthesis. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:81016 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 C27H42O4 Net Charge 0 Average Mass 430.621 Monoisotopic Mass 430.30831 InChI InChI=1S/C27H42O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h14,16-17,20-24,29H,5-13,15H2,1-4H3,(H,30,31)/t16-,17?,20-,21+,22+,23-,24+,26+,27-/m1/s1 InChIKey SATGKQGFUDXGAX-MYWFJNCASA-N SMILES C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@@H](CC2=CC(C1)=O)O)[H])(CC[C@@]4([C@H](C)CCCC(C)C(O)=O)[H])[H])C)[H])C Metabolite of Species Details Homo sapiens (NCBI:txid9606) See: PubMed Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing 7α-hydroxy-3-oxo-4-cholestenoic acid (CHEBI:83036) has role human metabolite (CHEBI:77746) 7α-hydroxy-3-oxo-4-cholestenoic acid (CHEBI:83036) is a 3-oxo-Δ4 steroid (CHEBI:47909) 7α-hydroxy-3-oxo-4-cholestenoic acid (CHEBI:83036) is a 7α-hydroxy steroid (CHEBI:36843) 7α-hydroxy-3-oxo-4-cholestenoic acid (CHEBI:83036) is a cholestanoid (CHEBI:50401) 7α-hydroxy-3-oxo-4-cholestenoic acid (CHEBI:83036) is a monocarboxylic acid (CHEBI:25384) 7α-hydroxy-3-oxo-4-cholestenoic acid (CHEBI:83036) is a steroid acid (CHEBI:47891) 7α-hydroxy-3-oxo-4-cholestenoic acid (CHEBI:83036) is conjugate acid of 7α-hydroxy-3-oxo-4-cholestenoate (CHEBI:133803) Incoming 7α-hydroxy-3-oxo-4-cholestenoate (CHEBI:133803) is conjugate base of 7α-hydroxy-3-oxo-4-cholestenoic acid (CHEBI:83036) IUPAC Name 7α-hydroxy-3-oxocholest-4-en-26-oic acid Synonym Source 7-Hoca ChemIDplus Manual Xref Database HMDB0012458 HMDB View more database links Registry Numbers Types Sources 115538-85-7 CAS Registry Number ChemIDplus 6349859 Reaxys Registry Number Reaxys Citations Types Sources 17251592 PubMed citation Europe PMC 19996111 PubMed citation Europe PMC 8662693 PubMed citation Europe PMC Last Modified 19 October 2016