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CHEBI:16852 - L-dopaquinone

ChEBI IDCHEBI:16852
ChEBI NameL-dopaquinone
Stars
ASCII NameL-dopaquinone
DefinitionAn L-phenylalanine derivative in which the phenyl group of L-phenylalanine is replaced by a 3,4-dioxocyclohexa-1,5-dien-1-yl group.
Secondary ChEBI IDsCHEBI:4699, CHEBI:14204, CHEBI:23887
Last Modified17 February 2017
DownloadsMolfile
FormulaC9H9NO4
Net Charge0
Average Mass195.174
Monoisotopic Mass195.05316
SMILESN[C@@H](CC1=CC(=O)C(=O)C=C1)C(=O)O
InChIInChI=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
InChIKeyAHMIDUVKSGCHAU-LURJTMIESA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
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 L-phenylalanine derivative (CHEBI:84144)
L-dopaquinone (CHEBI:16852) is a 1,2-benzoquinones (CHEBI:132123)
L-dopaquinone (CHEBI:16852) is tautomer of L-dopaquinone zwitterion (CHEBI:57924)
Incoming Relation(s)
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  Source
DopaquinoneKEGG COMPOUND
DOPAquinoneChEBI
(S)-2-amino-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)propanoateIUBMB
L-dopaquinoneIUBMB
Manual XrefsDatabases
C00822KEGG COMPOUND
C00822KEGG COMPOUND
DOPAQUINONEMetaCyc
HMDB0001229HMDB
L-DopaquinoneWikipedia
Registry NumbersSources
Reaxys:4182522Reaxys
CAS:25520-73-4ChemIDplus