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CHEBI:79402 - Glycyrrhizinate dipotassium

Default Structure
ChEBI IDCHEBI:79402
ChEBI NameGlycyrrhizinate dipotassium
Stars
DownloadsMolfile
FormulaC42H60O16.2K
Net Charge0
Average Mass899.122
Monoisotopic Mass898.31555
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[C@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)CC[C@]21C.[K+].[K+]
InChIInChI=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
InChIKeyBIVBRWYINDPWKA-VLQRKCJKSA-L
ChEBI Ontology
Outgoing Relation(s)
Glycyrrhizinate dipotassium (CHEBI:79402) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
Dipotassium (3beta,20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronateKEGG COMPOUND
Dipotassium glycyrrhizateKEGG COMPOUND
Manual XrefsDatabases
C14049KEGG COMPOUND
D02264KEGG DRUG
Registry NumbersSources
CAS:68797-35-3KEGG COMPOUND