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CHEBI:133561 - N-(indole-3-acetyl)valine

ChEBI IDCHEBI:133561
ChEBI NameN-(indole-3-acetyl)valine
Stars
ASCII NameN-(indole-3-acetyl)valine
DefinitionAn indoleacetic acid amide conjugate obtained by formal condensation of the carboxy group of indole-3-acetic acid with the amino group of valine.
Last Modified15 March 2017
SubmitterKeeva
DownloadsMolfile
FormulaC15H18N2O3
Net Charge0
Average Mass274.320
Monoisotopic Mass274.13174
SMILESCC(C)C(NC(=O)Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C15H18N2O3/c1-9(2)14(15(19)20)17-13(18)7-10-8-16-12-6-4-3-5-11(10)12/h3-6,8-9,14,16H,7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyAZEGJHGXTSUPPG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) - MetaboLights (MTBLS129)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
N-(indole-3-acetyl)valine (CHEBI:133561) has functional parent indole-3-acetic acid (CHEBI:16411)
N-(indole-3-acetyl)valine (CHEBI:133561) has role plant metabolite (CHEBI:76924)
N-(indole-3-acetyl)valine (CHEBI:133561) is a indoleacetic acid amide conjugate (CHEBI:64632)
N-(indole-3-acetyl)valine (CHEBI:133561) is a valine derivative (CHEBI:27267)
IUPAC Name 
N-[(1H-indol-3-yl)acetyl]valine
Synonyms  Source
2-[2-(1H-indol-3-yl)acetamido]-3-methylbutanoic acidIUPAC
IAA-ValMetaCyc
IAA-valineMetaCyc
(indol-3-ylacetyl)valineChEBI
indole-3-acetyl-valineMetaCyc
N-(indol-3-ylacetyl)valineChEBI
Manual XrefsDatabases
CPD-9577MetaCyc
Registry NumbersSources
Reaxys:32167Reaxys