EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:81864 - Monoammonium glycyrrhizinate

Default Structure
ChEBI IDCHEBI:81864
ChEBI NameMonoammonium glycyrrhizinate
Stars
DownloadsMolfile
FormulaC42H62O16.H3N
Net Charge0
Average Mass839.973
Monoisotopic Mass839.43034
SMILESN.[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
InChIInChI=1S/C42H62O16.H3N/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);1H3/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;/m0./s1
InChIKeyILRKKHJEINIICQ-OOFFSTKBSA-N
ChEBI Ontology
Outgoing Relation(s)
Monoammonium glycyrrhizinate (CHEBI:81864) is a organic molecular entity (CHEBI:50860)
Manual XrefsDatabases
C18610KEGG COMPOUND
D04987KEGG DRUG
Registry NumbersSources
CAS:53956-04-0KEGG COMPOUND