CHEBI:89753 - 3α,7α,12α-trihydroxy-5β-cholestane-5-carboxylic acid

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ChEBI Name 3α,7α,12α-trihydroxy-5β-cholestane-5-carboxylic acid ChEBI ID CHEBI:89753 ChEBI ASCII Name 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestane-5-carboxylic acid Stars This entity has been manually annotated by a third party. 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 C28H48O5 Net Charge 0 Average Mass 464.687 Monoisotopic Mass 464.35017 InChI InChI=1S/C28H48O5/c1-16(2)7-6-8-17(3)19-9-10-20-24-21(13-23(31)27(19,20)5)26(4)12-11-18(29)14-28(26,25(32)33)15-22(24)30/h16-24,29-31H,6-15H2,1-5H3,(H,32,33)/t17-,18-,19-,20+,21+,22-,23+,24+,26-,27-,28+/m1/s1 InChIKey JIFNDZCDNLFAKC-YAODFNMUSA-N SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@@]4(C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)C(O)=O)[C@H](C)CCCC(C)C Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO_0000131). See: PubMed Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: DOI 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 3α,7α,12α-trihydroxy-5β-cholestane-5-carboxylic acid (CHEBI:89753) has role human metabolite (CHEBI:77746) 3α,7α,12α-trihydroxy-5β-cholestane-5-carboxylic acid (CHEBI:89753) is a 12α-hydroxy steroid (CHEBI:36846) 3α,7α,12α-trihydroxy-5β-cholestane-5-carboxylic acid (CHEBI:89753) is a 3α-hydroxy steroid (CHEBI:36835) 3α,7α,12α-trihydroxy-5β-cholestane-5-carboxylic acid (CHEBI:89753) is a 7α-hydroxy steroid (CHEBI:36843) 3α,7α,12α-trihydroxy-5β-cholestane-5-carboxylic acid (CHEBI:89753) is a cholestanoic acid (CHEBI:131648) 3α,7α,12α-trihydroxy-5β-cholestane-5-carboxylic acid (CHEBI:89753) is a hydroxy monocarboxylic acid (CHEBI:35868) IUPAC Name 3α,7α,12α-trihydroxy-5β-cholestane-5-carboxylic acid Synonyms Sources (1R,3aS,3bR,4R,5aR,7R,9aR,9bS,11S,11aR)-4,7,11-trihydroxy-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]hexadecahydro-5aH-cyclopenta[a]phenanthrene-5a-carboxylic acid ChEBI (3α,5β,7α,12α)-3,7,12-trihydroxycholestane-5-carboxylic acid ChemIDplus 3,7,12-trihydroxycoprostanic acid ChemIDplus 3α,7α,12α-trihydroxy-5β-cholestanoic acid ChemIDplus 3α,7α,12α-trihydroxycoprostanic acid ChemIDplus 5-Thca ChemIDplus trihydroxycoprostanic acid HMDB trihydroxycoprostanoic acid HMDB Manual Xrefs Databases 108961 ChemSpider FDB022877 FooDB HMDB0002163 HMDB View more database links Registry Number Type Source 863-39-8 CAS Registry Number ChemIDplus Citations Types Sources 10749662 PubMed citation Europe PMC 11980911 PubMed citation Europe PMC 12512044 PubMed citation Europe PMC 12966071 PubMed citation Europe PMC 1478914 PubMed citation Europe PMC 20608845 PubMed citation Europe PMC 2576087 PubMed citation Europe PMC 2921319 PubMed citation Europe PMC 3568406 PubMed citation Europe PMC 5810058 PubMed citation Europe PMC 7347441 PubMed citation Europe PMC Last Modified 05 March 2021