L-N-(1H-Indol-3-ylacetyl)aspartic acid (CHEBI:191474)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	L-N-(1H-Indol-3-ylacetyl)aspartic acid

ChEBI ID	CHEBI:191474

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H14N2O5

Net Charge

Average Mass

290.275

Monoisotopic Mass

290.09027

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)

InChIKey

VAFNMNRKDDAKRM-UHFFFAOYSA-N

SMILES

O=C(NC(CC(O)=O)C(O)=O)CC=1C=2C(NC1)=CC=CC2

Metabolite of Species	Details
Solanum tuberosum (NCBI:txid4113)	Found in leaf (BTO:0000713). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058)	Found in bark (BTO:0001301). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058)	Found in seed (BTO:0001226). See: MetaboLights Study

ChEBI Ontology
Outgoing	L-N-(1H-Indol-3-ylacetyl)aspartic acid (CHEBI:191474) is a aspartic acid derivative (CHEBI:22661)

IUPAC Name

2-[[2-(1H-indol-3-yl)acetyl]amino]butanedioic acid