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CHEBI:145927 - 4-(indol-3-yl)butanoyl-β-D-glucose

ChEBI IDCHEBI:145927
ChEBI Name4-(indol-3-yl)butanoyl-β-D-glucose
Stars
ASCII Name4-(indol-3-yl)butanoyl-beta-D-glucose
DefinitionA β-D-glucoside resulting from the formal condensation of 1-hydroxy group of β-D-glucopyranose with the carboxy group of indole-3-butyric acid.
Last Modified28 January 2020
Submitterhdrabkin
DownloadsMolfile
FormulaC18H23NO7
Net Charge0
Average Mass365.382
Monoisotopic Mass365.14745
SMILESO=C(CCCc1cnc2ccccc12)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C18H23NO7/c20-9-13-15(22)16(23)17(24)18(25-13)26-14(21)7-3-4-10-8-19-12-6-2-1-5-11(10)12/h1-2,5-6,8,13,15-20,22-24H,3-4,7,9H2/t13-,15-,16+,17-,18+/m1/s1
InChIKeyCIJFFKOICMQHCH-LHKMKVQPSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(indol-3-yl)butanoyl-β-D-glucose (CHEBI:145927) has functional parent indole-3-butyric acid (CHEBI:33070)
4-(indol-3-yl)butanoyl-β-D-glucose (CHEBI:145927) is a indolyl carbohydrate (CHEBI:24821)
4-(indol-3-yl)butanoyl-β-D-glucose (CHEBI:145927) is a indolyl carboxylate ester (CHEBI:46939)
4-(indol-3-yl)butanoyl-β-D-glucose (CHEBI:145927) is a monosaccharide derivative (CHEBI:63367)
4-(indol-3-yl)butanoyl-β-D-glucose (CHEBI:145927) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
1-O-[4-(1H-indol-3-yl)butanoyl]-β-D-glucopyranose
Synonyms  Source
1H-indole-3-butyric acid β-D-glucopyranosyl esterChEBI
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl 4-(1H-indol-3-yl)butanoateIUPAC
indole-3-butyryl-β-D-glucoseChEBI
IBA-β-D-glucoseChEBI
IBA-β-D-GlcChEBI
IBA-β-D-glucopyranoseChEBI
UniProt Name  Source
4-(indol-3-yl)butanoyl-β-D-glucoseUniProt
Manual XrefsDatabases
CPD-12621MetaCyc
Citations