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CHEBI:167552 - cyclo-acetoacetyl-L-tryptophan(1−)

ChEBI IDCHEBI:167552
ChEBI Namecyclo-acetoacetyl-L-tryptophan(1−)
Stars
ASCII Namecyclo-acetoacetyl-L-tryptophan(1-)
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H13N2O3
Net Charge-1
Average Mass269.280
Monoisotopic Mass269.09317
SMILES[H][C@@]1(Cc2cnc3ccccc23)NC(=O)/C(=C(/C)[O-])C1=O
InChIInChI=1S/C15H14N2O3/c1-8(18)13-14(19)12(17-15(13)20)6-9-7-16-11-5-3-2-4-10(9)11/h2-5,7,12,16,18H,6H2,1H3,(H,17,20)/p-1/b13-8-/t12-/m0/s1
InChIKeyADTDXFWSOBUFSD-OEMOTLHWSA-M
ChEBI Ontology
Outgoing Relation(s)
cyclo-acetoacetyl-L-tryptophan(1−) (CHEBI:167552) has functional parent L-tryptophan (CHEBI:16828)
cyclo-acetoacetyl-L-tryptophan(1−) (CHEBI:167552) is a cyclic ketone (CHEBI:3992)
Synonym  Source
cAATrpSUBMITTER
UniProt Name  Source
cyclo-acetoacetyl-L-tryptophanUniProt
Manual XrefsDatabases
CPD-17072MetaCyc
Citations