CHEBI:16852 - L-dopaquinone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C9H9NO4
Net Charge 0
Average Mass 195.17210
Monoisotopic Mass 195.053
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