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CHEBI:57760 - 3-oxoglycyrrhetinate

ChEBI IDCHEBI:57760
ChEBI Name3-oxoglycyrrhetinate
Stars
DefinitionThe conjugate base of 3-oxoglycyrrhetinic acid acid; major species at pH 7.3.
Last Modified13 November 2017
DownloadsMolfile
FormulaC30H43O4
Net Charge-1
Average Mass467.670
Monoisotopic Mass467.31668
SMILES[H][C@]12C(=O)C=C3[C@]4([H])C[C@@](C)(C(=O)[O-])CC[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)C(=O)CC[C@]21C
InChIInChI=1S/C30H44O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21,23H,8-15,17H2,1-7H3,(H,33,34)/p-1/t19-,21-,23+,26+,27-,28-,29+,30+/m0/s1
InChIKeyQGWDYPREORDRIT-LPXJIFNVSA-M
ChEBI Ontology
Outgoing Relation(s)
3-oxoglycyrrhetinate (CHEBI:57760) is a 6-oxo monocarboxylic acid anion (CHEBI:35976)
3-oxoglycyrrhetinate (CHEBI:57760) is conjugate base of 3-oxoglycyrrhetinic acid (CHEBI:16404)
Incoming Relation(s)
3-oxoglycyrrhetinic acid (CHEBI:16404) is conjugate acid of 3-oxoglycyrrhetinate (CHEBI:57760)
IUPAC Name 
3,11-dioxoolean-12-en-30-oate
UniProt Name  Source
3-oxoglycyrrhetinateUniProt