CHEBI:57760 - 3-oxoglycyrrhetinate

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ChEBI Name 3-oxoglycyrrhetinate
ChEBI ID CHEBI:57760
Definition The conjugate base of 3-oxoglycyrrhetinic acid acid; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C30H43O4
Net Charge -1
Average Mass 467.66000
Monoisotopic Mass 467.31668
InChI InChI=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
InChIKey QGWDYPREORDRIT-LPXJIFNVSA-M
SMILES [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C([O-])=O
ChEBI Ontology
Outgoing 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 3-oxoglycyrrhetinic acid (CHEBI:16404) is conjugate acid of 3-oxoglycyrrhetinate (CHEBI:57760)
IUPAC Name
3,11-dioxoolean-12-en-30-oate
Synonym Source
3-oxoglycyrrhetinate UniProt
Last Modified
13 November 2017