CHEBI:16404 - 3-oxoglycyrrhetinic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-oxoglycyrrhetinic acid
ChEBI ID CHEBI:16404
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1638, CHEBI:11874, CHEBI:20170
Supplier Information
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Formula C30H44O4
Net Charge 0
Average Mass 468.66796
Monoisotopic Mass 468.32396
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)/t19-,21-,23+,26+,27-,28-,29+,30+/m0/s1
InChIKey QGWDYPREORDRIT-LPXJIFNVSA-N
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-oxoglycyrrhetinic acid (CHEBI:16404) has functional parent glycyrrhetinic acid (CHEBI:30853)
3-oxoglycyrrhetinic acid (CHEBI:16404) is a pentacyclic triterpenoid (CHEBI:25872)
3-oxoglycyrrhetinic acid (CHEBI:16404) is conjugate acid of 3-oxoglycyrrhetinate (CHEBI:57760)
Incoming 3-oxoglycyrrhetinate (CHEBI:57760) is conjugate base of 3-oxoglycyrrhetinic acid (CHEBI:16404)
IUPAC Name
3,11-dioxoolean-12-en-30-oic acid
Synonym Source
3-Oxoglycyrrhetinate KEGG COMPOUND
Manual Xref Database
C02943 KEGG COMPOUND
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Last Modified
23 December 2018