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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:17240 - itaconate(2−)
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ChEBI Name
itaconate(2−)
ChEBI ID
CHEBI:17240
ChEBI ASCII Name
itaconate(2-)
Definition
A dicarboxylic acid dianion that results from the deprotonation of both of the carboxylic acid groups of itaconic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:14484, CHEBI:24932
Supplier Information
No supplier information found for this compound.
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Molfile
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Molfile
Formula
C5H4O4
Net Charge
-2
Average Mass
128.083
Monoisotopic Mass
128.01206
InChI
InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)/p-2
InChIKey
LVHBHZANLOWSRM-UHFFFAOYSA-L
SMILES
C(C(CC([O-])=O)=C)([O-])=O
Metabolite of Species
Details
Saccharomyces cerevisiae
(NCBI:txid4932)
Source: yeast.sf.net See:
PubMed
Homo sapiens
(NCBI:txid9606)
See:
DOI
Roles Classification
Biological Role
(s):
Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (
Saccharomyces cerevisiae
).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
itaconate(2−) (
CHEBI:17240
)
has functional parent
succinate(2−) (
CHEBI:30031
)
itaconate(2−) (
CHEBI:17240
)
has role
Saccharomyces cerevisiae
metabolite (
CHEBI:75772
)
itaconate(2−) (
CHEBI:17240
)
has role
fungal metabolite (
CHEBI:76946
)
itaconate(2−) (
CHEBI:17240
)
has role
human metabolite (
CHEBI:77746
)
itaconate(2−) (
CHEBI:17240
)
is a
dicarboxylic acid dianion (
CHEBI:28965
)
itaconate(2−) (
CHEBI:17240
)
is conjugate base of
itaconic acid (
CHEBI:30838
)
Incoming
itaconic acid (
CHEBI:30838
)
is conjugate acid of
itaconate(2−) (
CHEBI:17240
)
IUPAC Name
2-methylidenebutanedioate
Synonyms
Sources
itaconate
UniProt
methylenesuccinate(2−)
ChemIDplus
methylenesuccinic acid, ion(2−)
ChemIDplus
Manual Xrefs
Databases
C00490
KEGG COMPOUND
ITACONATE
MetaCyc
View more database links
Registry Numbers
Types
Sources
2964-00-3
CAS Registry Number
ChemIDplus
327340
Gmelin Registry Number
Gmelin
3904702
Reaxys Registry Number
Reaxys
Last Modified
17 September 2021