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CHEBI:57549 - N2-(carboxylatoacetyl)-D-tryptophanate(2−)

ChEBI IDCHEBI:57549
ChEBI NameN2-(carboxylatoacetyl)-D-tryptophanate(2−)
Stars
ASCII NameN(2)-(carboxylatoacetyl)-D-tryptophanate(2-)
DefinitionDicarboxylate anion of N2-malonyl-D-tryptophan.
Last Modified13 November 2017
DownloadsMolfile
FormulaC14H12N2O5
Net Charge-2
Average Mass288.259
Monoisotopic Mass288.07572
SMILESO=C([O-])CC(=O)N[C@H](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)/p-2/t11-/m1/s1
InChIKeyOVEAWSPZRGBTSS-LLVKDONJSA-L
ChEBI Ontology
Outgoing Relation(s)
N2-(carboxylatoacetyl)-D-tryptophanate(2−) (CHEBI:57549) is a dicarboxylic acid dianion (CHEBI:28965)
N2-(carboxylatoacetyl)-D-tryptophanate(2−) (CHEBI:57549) is conjugate base of N2-malonyl-D-tryptophan (CHEBI:15874)
Incoming Relation(s)
N2-malonyl-D-tryptophan (CHEBI:15874) is conjugate acid of N2-(carboxylatoacetyl)-D-tryptophanate(2−) (CHEBI:57549)
IUPAC Names 
N-(carboxylatoacetyl)-D-tryptophanate
(2R)-2-[(carboxylatoacetyl)amino]-3-(1H-indol-3-yl)propanoate
Synonym  Source
(2R)-2-(2-carboxylatoacetamido)-3-(1H-indol-3-yl)propanoateChEBI
UniProt Name  Source
N2-malonyl-D-tryptophanUniProt