CHEBI:29807 - glycyrrhizinate(3−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name glycyrrhizinate(3−)
ChEBI ID CHEBI:29807
ChEBI ASCII Name glycyrrhizinate(3-)
Definition A tricarboxylic acid trianion that is the conjugate base of glycyrrhizinic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:14367, CHEBI:24419
Supplier Information
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Formula C42H59O16
Net Charge -3
Average Mass 819.90826
InChI InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/p-3/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1
InChIKey LPLVUJXQOOQHMX-QWBHMCJMSA-K
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@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C([O-])=O)C([O-])=O)C(C)(C)[C@]3([H])CC[C@@]12C)C([O-])=O
ChEBI Ontology
Outgoing glycyrrhizinate(3−) (CHEBI:29807) is a tricarboxylic acid trianion (CHEBI:27092)
glycyrrhizinate(3−) (CHEBI:29807) is conjugate base of glycyrrhizinic acid (CHEBI:15939)
Incoming glycyrrhizinic acid (CHEBI:15939) is conjugate acid of glycyrrhizinate(3−) (CHEBI:29807)
Synonyms Sources
(3beta,20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl-2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid KEGG COMPOUND
Glycyrrhizic acid KEGG COMPOUND
glycyrrhizin ChEBI
glycyrrhizin UniProt
Glycyrrhizin KEGG COMPOUND
Glycyrrhizinate KEGG COMPOUND
Database Links Databases
C00003522 KNApSAcK
C02284 KEGG COMPOUND
D00157 KEGG DRUG
GLYCYRRHIZINATE MetaCyc
View more database links
Last Modified
08 January 2016