CHEBI:79402 - Glycyrrhizinate dipotassium

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Glycyrrhizinate dipotassium
ChEBI ID CHEBI:79402
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C42H60K2O16
Net Charge 0
Average Mass 899.11280
Monoisotopic Mass 898.31555
InChI InChI=1S/C42H62O16.2K/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);;/q;2*+1/p-2/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;;/m0../s1
InChIKey BIVBRWYINDPWKA-VLQRKCJKSA-L
SMILES [K+].[K+].C[C@]12CC[C@@](C)(C[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)CC[C@H](O[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C([O-])=O)C([O-])=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(O)=O
ChEBI Ontology
Outgoing Glycyrrhizinate dipotassium (CHEBI:79402) is a organic molecular entity (CHEBI:50860)
Synonyms Sources
Dipotassium (3beta,20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate KEGG COMPOUND
Dipotassium glycyrrhizate KEGG COMPOUND
Manual Xrefs Databases
C14049 KEGG COMPOUND
D02264 KEGG DRUG
View more database links
Registry Number Type Source
68797-35-3 CAS Registry Number KEGG COMPOUND