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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	cyclo-acetoacetyl-L-tryptophan(1−)

ChEBI ID	CHEBI:167552

ChEBI ASCII Name	cyclo-acetoacetyl-L-tryptophan(1-)

Stars	This entity has been manually annotated by a third party.

Submitter	Kristian Axelsen

Supplier Information

Download	Molfile XML SDF

Formula

C15H13N2O3

Net Charge

-1

Average Mass

269.281

Monoisotopic Mass

269.09317

InChI

InChI=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

InChIKey

ADTDXFWSOBUFSD-OEMOTLHWSA-M

SMILES

C=12C=CC=CC1NC=C2C[C@]3(C(=O)/C(=C(\C)/[O-])/C(N3)=O)[H]

ChEBI Ontology
Outgoing	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)

Synonyms	Sources
cAATrp	SUBMITTER
cyclo-acetoacetyl-L-tryptophan	UniProt