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

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ChEBI Name	N-(indole-3-acetyl)-L-aspartate(2−)

ChEBI ID	CHEBI:133482

ChEBI ASCII Name	N-(indole-3-acetyl)-L-aspartate(2-)

Definition	An N-acyl-L-aspartate(2−) obtained by deprotonation of the carboxy groups of N-(indole-3-acetyl)-L-aspartic acid.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C14H12N2O5

Net Charge

-2

Average Mass

288.256

Monoisotopic Mass

288.07572

InChI

InChI=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

InChIKey

VAFNMNRKDDAKRM-NSHDSACASA-L

SMILES

O=C([O-])[C@@H](NC(CC1=CNC2=CC=CC=C12)=O)CC(=O)[O-]

Metabolite of Species	Details
Arabidopsis thaliana (NCBI:txid3702)	See: MetaboLights Study

Roles Classification
Biological Role(s):	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	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	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

Last Modified

23 May 2019