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:1184 - maleylacetic acid
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
maleylacetic acid
ChEBI ID
CHEBI:1184
Definition
A 4-oxohex-2-enedioic acid with a
Z
-configuration.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C6H6O5
Net Charge
0
Average Mass
158.10884
Monoisotopic Mass
158.02152
InChI
InChI=1S/C6H6O5/c7-4(3-6(10)11)1-2-5(8)9/h1-2H,3H2,(H,8,9)(H,10,11)/b2-1-
InChIKey
SOXXPQLIZIPMIZ-UPHRSURJSA-N
SMILES
OC(=O)CC(=O)\C=C/C(O)=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
bacterial xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
maleylacetic acid (
CHEBI:1184
)
has role
bacterial xenobiotic metabolite (
CHEBI:76976
)
maleylacetic acid (
CHEBI:1184
)
is a
4-oxohex-2-enedioic acid (
CHEBI:19672
)
maleylacetic acid (
CHEBI:1184
)
is conjugate acid of
maleylacetate (
CHEBI:16468
)
Incoming
maleylacetate (
CHEBI:16468
)
is conjugate base of
maleylacetic acid (
CHEBI:1184
)
IUPAC Name
(2
Z
)-4-oxohex-2-enedioic acid
Synonyms
Sources
(
Z
)-4-oxo-2-hexenedioic acid
ChemIDplus
2-Maleylacetate
KEGG COMPOUND
4-Oxohex-2-enedioate
KEGG COMPOUND
Maleylacetate
KEGG COMPOUND
Manual Xrefs
Databases
C00013593
KNApSAcK
C02222
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
24740-88-3
CAS Registry Number
KEGG COMPOUND
24740-88-3
CAS Registry Number
ChemIDplus
8544937
Beilstein Registry Number
Beilstein
8544937
Reaxys Registry Number
Reaxys
Citations
Types
Sources
24252642
PubMed citation
Europe PMC
25058513
PubMed citation
Europe PMC
Last Modified
30 January 2015