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

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ChEBI Name 4-(indol-3-yl)butanoyl-β-D-glucose
ChEBI ID CHEBI:145927
ChEBI ASCII Name 4-(indol-3-yl)butanoyl-beta-D-glucose
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Harold Drabkin
Supplier Information
Download Molfile XML SDF
Formula C18H23NO7
Net Charge 0
Average Mass 365.382
Monoisotopic Mass 365.14745
InChI InChI=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
InChIKey CIJFFKOICMQHCH-LHKMKVQPSA-N
SMILES C=1C=CC=C2NC=C(C12)CCCC(O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)=O
ChEBI Ontology
Outgoing 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 β-D-glucoside (CHEBI:22798)
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)
IUPAC Name
1-O-[4-(1H-indol-3-yl)butanoyl]-β-D-glucopyranose
Synonyms Sources
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl 4-(1H-indol-3-yl)butanoate IUPAC
1H-indole-3-butyric acid β-D-glucopyranosyl ester ChEBI
4-(indol-3-yl)butanoyl-β-D-glucose UniProt
IBA-β-D-Glc ChEBI
IBA-β-D-glucopyranose ChEBI
IBA-β-D-glucose ChEBI
indole-3-butyryl-β-D-glucose ChEBI
Manual Xref Database
CPD-12621 MetaCyc
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Citations Waiting for Citations Types Sources
15779830 PubMed citation Europe PMC
19885676 PubMed citation Europe PMC
20798329 PubMed citation Europe PMC
Last Modified
28 January 2020