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CHEBI:21484 - N-(indole-3-acetyl)-L-aspartic acid

Default Structure
ChEBI IDCHEBI:21484
ChEBI NameN-(indole-3-acetyl)-L-aspartic acid
Stars
ASCII NameN-(indole-3-acetyl)-L-aspartic acid
DefinitionAn N-acyl-L-aspartic acid in which the acyl group is specified as indole-3-acetyl.
Last Modified14 March 2017
DownloadsMolfile
FormulaC14H14N2O5
Net Charge0
Average Mass290.275
Monoisotopic Mass290.09027
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)/t11-/m0/s1
InChIKeyVAFNMNRKDDAKRM-NSHDSACASA-N
Species of MetaboliteComponentSourceComments
Aldrovanda vesiculosa (ncbitaxon:173386) - PubMed (27098087)
Arabidopsis thaliana (ncbitaxon:3702) - MetaboLights (MTBLS129)
Eucalyptus globulus (ncbitaxon:34317) root (BTO:0001188) DOI (10.1007/s11056-014-9420-1)
Glycine max (ncbitaxon:3847) - PubMed (25040570)
Pisum sativum (ncbitaxon:3888) - PubMed (26717013)
Solanum tuberosum (ncbitaxon:4113) tuber (BTO:0001400) PubMed (26708026)
Utricularia australis (ncbitaxon:192276) - PubMed (27098087)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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)-L-aspartic acid (CHEBI:21484) has functional parent indole-3-acetic acid (CHEBI:16411)
N-(indole-3-acetyl)-L-aspartic acid (CHEBI:21484) has role plant metabolite (CHEBI:76924)
N-(indole-3-acetyl)-L-aspartic acid (CHEBI:21484) is a N-acyl-L-aspartic acid (CHEBI:21647)
N-(indole-3-acetyl)-L-aspartic acid (CHEBI:21484) is a indole-L-aspartic acid conjugate (CHEBI:24820)
N-(indole-3-acetyl)-L-aspartic acid (CHEBI:21484) is a indoleacetic acid amide conjugate (CHEBI:64632)
N-(indole-3-acetyl)-L-aspartic acid (CHEBI:21484) is conjugate acid of N-(indole-3-acetyl)-L-aspartate(2−) (CHEBI:133482)
Incoming Relation(s)
N-(indole-3-acetyl)-L-aspartate(2−) (CHEBI:133482) is conjugate base of N-(indole-3-acetyl)-L-aspartic acid (CHEBI:21484)
IUPAC Name 
N-[(1H-indol-3-yl)acetyl]-L-aspartic acid
Synonyms  Source
3-Indolylacetyl-L-aspartic acidHMDB
N-(indol-3-ylacetyl)aspartic acidChEBI
N-(indol-3-ylacetyl)-L-aspartic acidChEBI
N-(indole-3-acetyl)aspartic acidChEBI
IAA-AspMetaCyc
IAASPChemIDplus
Manual XrefsDatabases
C00000117KNApSAcK
HMDB0038666HMDB
INDOLE-3-ACETYL-ASPMetaCyc
Registry NumbersSources
Reaxys:94247Reaxys
CAS:2456-73-7ChemIDplus
Citations