CHEBI:17573 - glycyrrhetinate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name glycyrrhetinate
ChEBI ID CHEBI:17573
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:14366, CHEBI:24415
Supplier Information
Download Molfile XML SDF
Formula C30H45O4
Net Charge -1
Average Mass 469.67590
Monoisotopic Mass 469.33233
InChI InChI=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
InChIKey MPDGHEJMBKOTSU-YKLVYJNSSA-M
SMILES [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C([O-])=O
ChEBI Ontology
Outgoing glycyrrhetinate (CHEBI:17573) is a monocarboxylic acid anion (CHEBI:35757)
glycyrrhetinate (CHEBI:17573) is conjugate base of glycyrrhetinic acid (CHEBI:30853)
Incoming glycyrrhetinic acid (CHEBI:30853) is conjugate acid of glycyrrhetinate (CHEBI:17573)
IUPAC Name
3β-hydroxy-11-oxoolean-12-en-30-oate
Synonyms Sources
Glycyrrhetinate KEGG COMPOUND
glycyrrhetinate UniProt
Manual Xref Database
C02283 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1449-05-4 CAS Registry Number KEGG COMPOUND
471-53-4 CAS Registry Number KEGG COMPOUND
Last Modified
26 August 2015