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CHEBI:142268 - N-malonyltryptophan

ChEBI IDCHEBI:142268
ChEBI NameN-malonyltryptophan
Stars
ASCII NameN-malonyltryptophan
DefinitionA tryptophan derivative resulting from the formal condensation of the α-amino group of tryptophan with malonic acid.
Last Modified28 September 2018
Submittermwilliams
DownloadsMolfile
FormulaC14H14N2O5
Net Charge0
Average Mass290.275
Monoisotopic Mass290.09027
SMILESO=C(O)CC(=O)NC(Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C14H14N2O5/c17-12(6-13(18)19)16-11(14(20)21)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)
InChIKeyOVEAWSPZRGBTSS-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
N-malonyltryptophan (CHEBI:142268) has functional parent malonic acid (CHEBI:30794)
N-malonyltryptophan (CHEBI:142268) is a dicarboxylic acid (CHEBI:35692)
N-malonyltryptophan (CHEBI:142268) is a secondary carboxamide (CHEBI:140325)
N-malonyltryptophan (CHEBI:142268) is a tryptophan derivative (CHEBI:27164)
IUPAC Name 
N-(carboxyacetyl)tryptophan
Synonyms  Source
N-malonyl-tryptophanChEBI
2-(2-carboxyacetamido)-3-(1H-indol-3-yl)propanoic acidChEBI
N-malonyltryptophanKNApSAcK
Manual XrefsDatabases
HMDB0039500HMDB
C00000118KNApSAcK
FDB019107FooDB
Registry NumbersSources
Reaxys:5353719Reaxys
CAS:29399-11-9HMDB
CAS:29399-11-9KNApSAcK
Citations