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CHEBI:136722 - N-(2-oxindole-3-acetyl)-L-aspartic acid

ChEBI IDCHEBI:136722
ChEBI NameN-(2-oxindole-3-acetyl)-L-aspartic acid
Stars
ASCII NameN-(2-oxindole-3-acetyl)-L-aspartic acid
DefinitionAn N-acyl-L-aspartic acid in which the acyl group is specified as 2-oxindole-3-acetyl.
Last Modified14 March 2018
SubmitterKeeva
DownloadsMolfile
FormulaC14H14N2O6
Net Charge0
Average Mass306.274
Monoisotopic Mass306.08519
SMILESO=C(O)C[C@H](NC(=O)CC1C(=O)Nc2ccccc21)C(=O)O
InChIInChI=1S/C14H14N2O6/c17-11(15-10(14(21)22)6-12(18)19)5-8-7-3-1-2-4-9(7)16-13(8)20/h1-4,8,10H,5-6H2,(H,15,17)(H,16,20)(H,18,19)(H,21,22)/t8?,10-/m0/s1
InChIKeySDOOMIWSQMGJCL-HTLJXXAVSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708)
- PubMed (27500669)
- MetaboLights (MTBLS312)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
Brassica napus metabolite  Any plant metabolite that is produced by rapeseed (Brassica napus).
ChEBI Ontology
Outgoing Relation(s)
N-(2-oxindole-3-acetyl)-L-aspartic acid (CHEBI:136722) has functional parent 2-oxindole-3-acetic acid (CHEBI:133221)
N-(2-oxindole-3-acetyl)-L-aspartic acid (CHEBI:136722) has role Brassica napus metabolite (CHEBI:140165)
N-(2-oxindole-3-acetyl)-L-aspartic acid (CHEBI:136722) is a N-acyl-L-aspartic acid (CHEBI:21647)
N-(2-oxindole-3-acetyl)-L-aspartic acid (CHEBI:136722) is a oxindoles (CHEBI:38459)
IUPAC Name 
N-[(2-oxo-2,3-dihydro-1H-indol-3-yl)acetyl]-L-aspartic acid
Synonym  Source
2-oxindole-3-acetyl-L-aspartic acidChEBI
Manual XrefsDatabases
2-OXINDOLE-3-ACETYL-ASPMetaCyc
Registry NumbersSources
Reaxys:11077849Reaxys