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

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ChEBI Name N-(2-oxindole-3-acetyl)-L-aspartic acid
ChEBI ID CHEBI:136722
ChEBI ASCII Name N-(2-oxindole-3-acetyl)-L-aspartic acid
Definition An N-acyl-L-aspartic acid in which the acyl group is specified as 2-oxindole-3-acetyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C14H14N2O6
Net Charge 0
Average Mass 306.271
Monoisotopic Mass 306.08519
InChI InChI=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
InChIKey SDOOMIWSQMGJCL-HTLJXXAVSA-N
SMILES C(N[C@H](C(O)=O)CC(=O)O)(=O)CC1C(=O)NC2=C1C=CC=C2
Metabolite of Species Details
Brassica napus (NCBI:txid3708) See: MetaboLights Study
Brassica napus (NCBI:txid3708) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): Brassica napus metabolite
Any plant metabolite that is produced by rapeseed (Brassica napus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 acid ChEBI
Manual Xref Database
2-OXINDOLE-3-ACETYL-ASP MetaCyc
View more database links
Registry Number Type Source
11077849 Reaxys Registry Number Reaxys
Last Modified
14 March 2018