CHEBI:28834 - deoxycholic acid

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ChEBI Name deoxycholic acid ChEBI ID CHEBI:28834 Definition A bile acid that is 5β-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 12 respectively. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:42317, CHEBI:1687, CHEBI:23616 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 C24H40O4 Net Charge 0 Average Mass 392.57200 Monoisotopic Mass 392.29266 InChI InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1 InChIKey KXGVEGMKQFWNSR-LLQZFEROSA-N SMILES [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(O)=O)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CC[C@@H](O)C2 Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: MetaboLights Study 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 blood serum metabolite Any metabolite (endogenous or exogenous) found in human blood serum samples. View more via ChEBI Ontology ChEBI Ontology Outgoing deoxycholic acid (CHEBI:28834) has role human blood serum metabolite (CHEBI:85234) deoxycholic acid (CHEBI:28834) is a bile acid (CHEBI:3098) deoxycholic acid (CHEBI:28834) is a C24-steroid (CHEBI:131620) deoxycholic acid (CHEBI:28834) is a dihydroxy-5β-cholanic acid (CHEBI:23775) deoxycholic acid (CHEBI:28834) is conjugate acid of deoxycholate (CHEBI:23614) Incoming 3α,12α-dihydroxy-5β-chol-6-en-24-oic acid (CHEBI:73926) has functional parent deoxycholic acid (CHEBI:28834) deoxycholic acid 24-O-(β-D-glucuronide) (CHEBI:137799) has functional parent deoxycholic acid (CHEBI:28834) deoxycholic acid 3-glucuronide (CHEBI:145757) has functional parent deoxycholic acid (CHEBI:28834) deoxycholoyl-CoA (CHEBI:50111) has functional parent deoxycholic acid (CHEBI:28834) glycodeoxycholic acid (CHEBI:27471) has functional parent deoxycholic acid (CHEBI:28834) taurodeoxycholic acid (CHEBI:9410) has functional parent deoxycholic acid (CHEBI:28834) deoxycholic acid-2,2,4,4-d4 (CHEBI:192782) is a deoxycholic acid (CHEBI:28834) deoxycholate (CHEBI:23614) is conjugate base of deoxycholic acid (CHEBI:28834) IUPAC Name 3α,12α-dihydroxy-5β-cholan-24-oic acid Synonyms Sources (3ALPHA,5ALPHA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID Note: (2006-07-10) This is a misnomer. PDBeChem (3α,5β,12α)-3,12-dihydroxycholan-24-oic acid ChemIDplus 3alpha,12alpha-Dihydroxy-5beta-cholanic acid KEGG COMPOUND 7α-deoxycholic acid ChemIDplus Deoxycholic acid KEGG COMPOUND desoxycholic acid ChemIDplus Desoxycholsäure ChEBI Manual Xrefs Databases 4988 DrugCentral C00030117 KNApSAcK C04483 KEGG COMPOUND DB03619 DrugBank DXC PDBeChem LMST04010040 LIPID MAPS LSM-5529 LINCS View more database links Registry Numbers Types Sources 3219882 Beilstein Registry Number ChemIDplus 670078 Gmelin Registry Number Gmelin 83-44-3 CAS Registry Number ChemIDplus Last Modified 11 July 2017