CHEBI:27471 - glycodeoxycholic acid

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ChEBI Name glycodeoxycholic acid ChEBI ID CHEBI:27471 Definition A bile acid glycine conjugate of deoxycholic acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:1686, CHEBI:5465, CHEBI:20208 Supplier Information 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 C26H43NO5 Net Charge 0 Average Mass 449.624 Monoisotopic Mass 449.31412 InChI InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1 InChIKey WVULKSPCQVQLCU-BUXLTGKBSA-N SMILES C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3(CC[C@@]2(C[C@@H](C1)O)[H])[H])(CC[C@@]4([C@@H](CCC(NCC(O)=O)=O)C)[H])[H])C)O)[H])C Roles Classification 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 glycodeoxycholic acid (CHEBI:27471) has functional parent deoxycholic acid (CHEBI:28834) glycodeoxycholic acid (CHEBI:27471) has role human metabolite (CHEBI:77746) glycodeoxycholic acid (CHEBI:27471) is a bile acid glycine conjugate (CHEBI:36255) glycodeoxycholic acid (CHEBI:27471) is conjugate acid of glycodeoxycholate (CHEBI:82982) Incoming 7-oxoglycodeoxycholic acid (CHEBI:138394) has functional parent glycodeoxycholic acid (CHEBI:27471) glycodeoxycholic acid 3-sulfate (CHEBI:133678) has functional parent glycodeoxycholic acid (CHEBI:27471) glycodeoxycholic acid-2,2,4,4-d4 (CHEBI:192784) is a glycodeoxycholic acid (CHEBI:27471) glycodeoxycholate (CHEBI:82982) is conjugate base of glycodeoxycholic acid (CHEBI:27471) IUPAC Name N-(3α,12α-dihydroxy-5β-cholan-24-oyl)glycine Synonyms Sources deoxycholic acid glycine conjugate ChemIDplus deoxycholylglycine ChemIDplus GDCA ChEBI Glycodeoxycholate KEGG COMPOUND glycodeoxycholic acid ChemIDplus glycodesoxycholic acid ChemIDplus Manual Xrefs Databases C05464 KEGG COMPOUND Glycodeoxycholic_acid Wikipedia GLYCODEOXYCHOLIC_ACID MetaCyc HMDB0000631 HMDB LMST05030006 LIPID MAPS LSM-5760 LINCS View more database links Registry Numbers Types Sources 2954947 Beilstein Registry Number Beilstein 2954947 Reaxys Registry Number Reaxys 360-65-6 CAS Registry Number ChemIDplus Citations Types Sources 22359652 PubMed citation Europe PMC 23892997 PubMed citation Europe PMC 659989 PubMed citation Europe PMC Last Modified 07 September 2017