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CHEBI:133482 - N-(indole-3-acetyl)-L-aspartate(2−)

ChEBI IDCHEBI:133482
ChEBI NameN-(indole-3-acetyl)-L-aspartate(2−)
Stars
ASCII NameN-(indole-3-acetyl)-L-aspartate(2-)
DefinitionAn N-acyl-L-aspartate(2−) obtained by deprotonation of the carboxy groups of N-(indole-3-acetyl)-L-aspartic acid.
Last Modified23 May 2019
SubmitterKeeva
DownloadsMolfile
FormulaC14H12N2O5
Net Charge-2
Average Mass288.259
Monoisotopic Mass288.07572
SMILESO=C([O-])C[C@H](NC(=O)Cc1cnc2ccccc12)C(=O)[O-]
InChIInChI=1S/C14H14N2O5/c17-12(16-11(14(20)21)6-13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)/p-2/t11-/m0/s1
InChIKeyVAFNMNRKDDAKRM-NSHDSACASA-L
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) - MetaboLights (MTBLS129)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
N-(indole-3-acetyl)-L-aspartate(2−) (CHEBI:133482) has role plant metabolite (CHEBI:76924)
N-(indole-3-acetyl)-L-aspartate(2−) (CHEBI:133482) is a N-acyl-L-aspartate(2−) (CHEBI:58497)
N-(indole-3-acetyl)-L-aspartate(2−) (CHEBI:133482) is conjugate base of N-(indole-3-acetyl)-L-aspartic acid (CHEBI:21484)
Incoming Relation(s)
N-(indole-3-acetyl)-L-aspartic acid (CHEBI:21484) is conjugate acid of N-(indole-3-acetyl)-L-aspartate(2−) (CHEBI:133482)
IUPAC Name 
(2S)-2-[2-(1H-indol-3-yl)acetamido]butanedioate
Synonyms  Source
indole-3-acetyl-aspartateChEBI
indole-3-acetylaspartateChEBI
N-(indole-3-acetyl)aspartate(2−)ChEBI
indole-3-acetyl-aspartate(2−)ChEBI
UniProt Name  Source
(indol-3-yl)acetyl-L-aspartateUniProt
Manual XrefsDatabases
INDOLE-3-ACETYL-ASPMetaCyc