L-dopaquinone (CHEBI:16852)

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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

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Formula

C9H9NO4

Net Charge

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).

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

Last Modified

17 February 2017