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CHEBI:17573 - glycyrrhetinate

ChEBI IDCHEBI:17573
ChEBI Nameglycyrrhetinate
Stars
Secondary ChEBI IDsCHEBI:14366, CHEBI:24415
Last Modified26 August 2015
DownloadsMolfile
FormulaC30H45O4
Net Charge-1
Average Mass469.686
Monoisotopic Mass469.33233
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@@H](O)CC[C@]21C
InChIInChI=1S/C30H46O4/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/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/p-1/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
InChIKeyMPDGHEJMBKOTSU-YKLVYJNSSA-M
ChEBI Ontology
Outgoing Relation(s)
glycyrrhetinate (CHEBI:17573) is a monocarboxylic acid anion (CHEBI:35757)
glycyrrhetinate (CHEBI:17573) is conjugate base of glycyrrhetinic acid (CHEBI:30853)
Incoming Relation(s)
glycyrrhetinic acid (CHEBI:30853) is conjugate acid of glycyrrhetinate (CHEBI:17573)
IUPAC Name 
3β-hydroxy-11-oxoolean-12-en-30-oate
Synonym  Source
GlycyrrhetinateKEGG COMPOUND
UniProt Name  Source
glycyrrhetinateUniProt
Manual XrefsDatabases
C02283KEGG COMPOUND
Registry NumbersSources
CAS:1449-05-4KEGG COMPOUND
CAS:471-53-4KEGG COMPOUND