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CHEBI:57729 - 3α-hydroxyglycyrrhetinate

ChEBI IDCHEBI:57729
ChEBI Name3α-hydroxyglycyrrhetinate
Stars
ASCII Name3alpha-hydroxyglycyrrhetinate
DefinitionThe conjugate base of 3α-hydroxyglycyrrhetinic acid; major species at pH 7.3.
Last Modified16 November 2017
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-GBWCSKBLSA-M
ChEBI Ontology
Outgoing Relation(s)
3α-hydroxyglycyrrhetinate (CHEBI:57729) is a 6-oxo monocarboxylic acid anion (CHEBI:35976)
3α-hydroxyglycyrrhetinate (CHEBI:57729) is conjugate base of 3α-hydroxyglycyrrhetinic acid (CHEBI:16317)
Incoming Relation(s)
3α-hydroxyglycyrrhetinic acid (CHEBI:16317) is conjugate acid of 3α-hydroxyglycyrrhetinate (CHEBI:57729)
IUPAC Name 
3α-hydroxy-11-oxoolean-12-en-30-oate
Synonym  Source
3α-hydroxyglycyrrhetinate anionChEBI
UniProt Name  Source
3α-hydroxyglycyrrhetinateUniProt