CHEBI:143274 - indole-3-butyrate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name indole-3-butyrate
ChEBI ID CHEBI:143274
Definition An indol-3-yl carboxylic acid anion that is the conjugate base of indole-3-butyric acid, arising from the deprotonation of the carboxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C12H12NO2
Net Charge -1
Average Mass 202.234
Monoisotopic Mass 202.08735
InChI InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)/p-1
InChIKey JTEDVYBZBROSJT-UHFFFAOYSA-M
SMILES C=1C=CC=C2NC=C(C12)CCCC([O-])=O
ChEBI Ontology
Outgoing indole-3-butyrate (CHEBI:143274) is a indol-3-yl carboxylic acid anion (CHEBI:38468)
indole-3-butyrate (CHEBI:143274) is conjugate base of indole-3-butyric acid (CHEBI:33070)
Incoming indole-3-butyric acid (CHEBI:33070) is conjugate acid of indole-3-butyrate (CHEBI:143274)
IUPAC Name
4-(1H-indol-3-yl)butanoate
Synonyms Sources
(indol-3-yl)butanoate UniProt
1H-indole-3-butanoate ChEBI
1H-indole-3-butyrate ChEBI
3-indolebutyrate ChEBI
4-(indol-3-yl)butanoate MetaCyc
indole-3-butanoate MetaCyc
indole-3-butyrate MetaCyc
indole-3-butyric acid(1−) ChEBI
Manual Xrefs Databases
2934315 ChemSpider
CPD-10507 MetaCyc
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Last Modified
13 June 2019