CHEBI:16755 - chenodeoxycholic acid

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ChEBI Name chenodeoxycholic acid ChEBI ID CHEBI:16755 Definition A dihydroxy-5β-cholanic acid that is (5β)-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 7 respectively. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:3593, CHEBI:23094, CHEBI:3588 Supplier Information ChemicalBook:CB4285737, eMolecules:37007513, eMolecules:29538481, eMolecules:29535261, Selleckchem:Chenodeoxycholic-acid, ZINC000003914808 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C24H40O4 Net Charge 0 Average Mass 392.57200 Monoisotopic Mass 392.29266 InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 InChIKey RUDATBOHQWOJDD-BSWAIDMHSA-N SMILES [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(O)=O Metabolite of Species Details Mus musculus (NCBI:txid10090) See: PubMed Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed 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). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). View more via ChEBI Ontology ChEBI Ontology Outgoing chenodeoxycholic acid (CHEBI:16755) has role human metabolite (CHEBI:77746) chenodeoxycholic acid (CHEBI:16755) has role mouse metabolite (CHEBI:75771) chenodeoxycholic acid (CHEBI:16755) is a bile acid (CHEBI:3098) chenodeoxycholic acid (CHEBI:16755) is a C24-steroid (CHEBI:131620) chenodeoxycholic acid (CHEBI:16755) is a dihydroxy-5β-cholanic acid (CHEBI:23775) chenodeoxycholic acid (CHEBI:16755) is conjugate acid of chenodeoxycholate (CHEBI:36234) Incoming 3-oxochenodeoxycholoyl-CoA (CHEBI:137532) has functional parent chenodeoxycholic acid (CHEBI:16755) chenodeoxycholic acid 24-O-(β-D-glucuronide) (CHEBI:137790) has functional parent chenodeoxycholic acid (CHEBI:16755) chenodeoxycholic acid 3-O-(β-D-glucuronide) (CHEBI:137725) has functional parent chenodeoxycholic acid (CHEBI:16755) chenodeoxycholic acid-3-O-β-D-glucoside (CHEBI:229688) has functional parent chenodeoxycholic acid (CHEBI:16755) chenodeoxycholoyl-CoA (CHEBI:28701) has functional parent chenodeoxycholic acid (CHEBI:16755) glycochenodeoxycholic acid (CHEBI:36274) has functional parent chenodeoxycholic acid (CHEBI:16755) obeticholic acid (CHEBI:43602) has functional parent chenodeoxycholic acid (CHEBI:16755) taurochenodeoxycholic acid (CHEBI:16525) has functional parent chenodeoxycholic acid (CHEBI:16755) chenodeoxycholate (CHEBI:36234) is conjugate base of chenodeoxycholic acid (CHEBI:16755) IUPAC Name 3α,7α-dihydroxy-5β-cholan-24-oic acid Synonyms Sources 3alpha,7alpha-Dihydroxy-5beta-cholanic acid KEGG COMPOUND 7α-hydroxylithocholic acid ChemIDplus anthropodeoxycholic acid ChemIDplus anthropodesoxycholic acid ChemIDplus CDCA IUPHAR chenic acid ChemIDplus Chenix ChemIDplus Chenodeoxycholic acid KEGG COMPOUND Chenodiol KEGG COMPOUND gallodesoxycholic acid ChemIDplus Manual Xrefs Databases 4361 DrugCentral C02528 KEGG COMPOUND Chenodiol Wikipedia D00163 KEGG DRUG DB06777 DrugBank HMDB0000518 HMDB JN3 PDBeChem LMST04010032 LIPID MAPS LSM-5353 LINCS View more database links Registry Numbers Types Sources 3219887 Reaxys Registry Number Reaxys 474-25-9 CAS Registry Number KEGG COMPOUND 474-25-9 CAS Registry Number ChemIDplus Citations Last Modified 27 February 2024