CHEBI:16852 - L-dopaquinone

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ChEBI Name L-dopaquinone ChEBI ID CHEBI:16852 ChEBI ASCII Name L-dopaquinone Definition An L-phenylalanine derivative in which the phenyl group of L-phenylalanine is replaced by a 3,4-dioxocyclohexa-1,5-dien-1-yl group. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:4699, CHEBI:14204, CHEBI:23887 Supplier Information ChemicalBook:CB1262764, eMolecules:531544, ZINC000008195650 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C9H9NO4 Net Charge 0 Average Mass 195.17210 Monoisotopic Mass 195.05316 InChI InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6H,3,10H2,(H,13,14)/t6-/m0/s1 InChIKey AHMIDUVKSGCHAU-LURJTMIESA-N SMILES N[C@@H](CC1=CC(=O)C(=O)C=C1)C(O)=O Metabolite of Species Details Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed Homo sapiens (NCBI:txid9606) See: DOI Roles Classification Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). View more via ChEBI Ontology ChEBI Ontology Outgoing L-dopaquinone (CHEBI:16852) has role human metabolite (CHEBI:77746) L-dopaquinone (CHEBI:16852) has role mouse metabolite (CHEBI:75771) L-dopaquinone (CHEBI:16852) is a 1,2-benzoquinones (CHEBI:132123) L-dopaquinone (CHEBI:16852) is a L-phenylalanine derivative (CHEBI:84144) L-dopaquinone (CHEBI:16852) is tautomer of L-dopaquinone zwitterion (CHEBI:57924) Incoming L-dopaquinone zwitterion (CHEBI:57924) is tautomer of L-dopaquinone (CHEBI:16852) IUPAC Name 3-(3,4-dioxocyclohexa-1,5-dien-1-yl)-L-alanine Synonyms Sources (S)-2-amino-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)propanoate IUBMB DOPAquinone ChEBI Dopaquinone KEGG COMPOUND L-dopaquinone IUBMB Manual Xrefs Databases C00822 KEGG COMPOUND DOPAQUINONE MetaCyc HMDB0001229 HMDB L-Dopaquinone Wikipedia View more database links Registry Numbers Types Sources 25520-73-4 CAS Registry Number ChemIDplus 4182522 Reaxys Registry Number Reaxys Last Modified 17 February 2017