CHEBI:138394 - 7-oxoglycodeoxycholic acid

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ChEBI Name 7-oxoglycodeoxycholic acid ChEBI ID CHEBI:138394 Definition A bile acid glycine conjugate that is glycodeoxycholic acid carrying an additional oxo substituent at position 7. Stars This entity has been manually annotated by the ChEBI Team. 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 C26H41NO6 Net Charge 0 Average Mass 463.608 Monoisotopic Mass 463.29339 InChI InChI=1S/C26H41NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-19,21,24,28,30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,21+,24+,25+,26-/m1/s1 InChIKey LSIUQFINAGKPOI-OOHCVHQXSA-N SMILES C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3(C(C[C@@]2(C[C@@H](C1)O)[H])=O)[H])(CC[C@]4([H])[C@@H](CCC(NCC(O)=O)=O)C)[H])C)O)[H])C ChEBI Ontology Outgoing 7-oxoglycodeoxycholic acid (CHEBI:138394) has functional parent glycodeoxycholic acid (CHEBI:27471) 7-oxoglycodeoxycholic acid (CHEBI:138394) is a 12α-hydroxy steroid (CHEBI:36846) 7-oxoglycodeoxycholic acid (CHEBI:138394) is a 3α-hydroxy steroid (CHEBI:36835) 7-oxoglycodeoxycholic acid (CHEBI:138394) is a 7-oxo steroid (CHEBI:47789) 7-oxoglycodeoxycholic acid (CHEBI:138394) is a bile acid glycine conjugate (CHEBI:36255) 7-oxoglycodeoxycholic acid (CHEBI:138394) is conjugate acid of 7-oxoglycodeoxycholate (CHEBI:137824) Incoming 7-oxoglycodeoxycholate (CHEBI:137824) is conjugate base of 7-oxoglycodeoxycholic acid (CHEBI:138394) IUPAC Name N-[(3α,5β,12α)-3,12-dihydroxy-7,24-dioxocholan-24-yl]glycine Synonyms Sources 7-ketodeoxycholic acid-glycine conjugate ChEBI 7-ketoglycodeoxycholic acid ChEBI 7-oxodeoxycholic acid-glycine conjugate ChEBI N-(3α,12α-dihydroxy-7-oxo-5β-cholan-24-oyl)glycine ChEBI {[(3α,5β,12α)-3,12-dihydroxy-7,24-dioxocholan-24-yl]amino}acetic acid ChEBI Registry Number Type Source 5836788 Reaxys Registry Number Reaxys Citation Type Source 14756531 PubMed citation Europe PMC Last Modified 07 September 2017