EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI IDCHEBI:191474
ChEBI NameL-N-(1H-Indol-3-ylacetyl)aspartic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H14N2O5
Net Charge0
Average Mass290.275
Monoisotopic Mass290.09027
SMILESO=C(O)CC(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)
InChIKeyVAFNMNRKDDAKRM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
Solanum tuberosum (ncbitaxon:4113) leaf (BTO:0000713) MetaboLights (MTBLS4365)
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
3845644ChemSpider
HMDB0038666HMDB