CHEBI:142268 - N-malonyltryptophan

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ChEBI Name N-malonyltryptophan ChEBI ID CHEBI:142268 ChEBI ASCII Name N-malonyltryptophan Definition A tryptophan derivative resulting from the formal condensation of the α-amino group of tryptophan with malonic acid. Stars This entity has been manually annotated by the ChEBI Team. Submitter Mark Williams Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C14H14N2O5 Net Charge 0 Average Mass 290.272 Monoisotopic Mass 290.09027 InChI InChI=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) InChIKey OVEAWSPZRGBTSS-UHFFFAOYSA-N SMILES C=12C=CC=CC1NC=C2CC(NC(CC(=O)O)=O)C(O)=O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Sources 2-(2-carboxyacetamido)-3-(1H-indol-3-yl)propanoic acid ChEBI N-malonyl-tryptophan ChEBI N-malonyltryptophan KNApSAcK Manual Xrefs Databases C00000118 KNApSAcK FDB019107 FooDB HMDB0039500 HMDB View more database links Registry Numbers Types Sources 29399-11-9 CAS Registry Number KNApSAcK 29399-11-9 CAS Registry Number HMDB 5353719 Reaxys Registry Number Reaxys Citation Type Source 21958116 PubMed citation Europe PMC Last Modified 28 September 2018