Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
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
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