CHEBI:137824 - 7-oxoglycodeoxycholate

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ChEBI Name 7-oxoglycodeoxycholate ChEBI ID CHEBI:137824 Definition A cholanic acid conjugate anion that is the conjugate base of 7-oxoglycodeoxycholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Nevila Nouspikel 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 C26H40NO6 Net Charge -1 Average Mass 462.600 Monoisotopic Mass 462.28611 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)/p-1/t14-,15+,16-,17-,18+,19+,21+,24+,25+,26-/m1/s1 InChIKey LSIUQFINAGKPOI-OOHCVHQXSA-M 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-oxoglycodeoxycholate (CHEBI:137824) is a N-acylglycinate (CHEBI:57670) 7-oxoglycodeoxycholate (CHEBI:137824) is a cholanic acid conjugate anion (CHEBI:131879) 7-oxoglycodeoxycholate (CHEBI:137824) is conjugate base of 7-oxoglycodeoxycholic acid (CHEBI:138394) Incoming 7-oxoglycodeoxycholic acid (CHEBI:138394) is conjugate acid of 7-oxoglycodeoxycholate (CHEBI:137824) IUPAC Name {[(3α,5β,12α)-3,12-dihydroxy-7,24-dioxocholan-24-yl]amino}acetate Synonyms Sources 7-ketoglycodeoxycholate ChEBI 7-oxo-glycodeoxycholate UniProt N-(3α,12α-dihydroxy-7-oxo-5β-cholan-24-oyl)glycinate SUBMITTER Citation Type Source 14756531 PubMed citation SUBMITTER Last Modified 07 September 2017