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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:32806 -
trans
-aconitic acid
Main
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ChEBI Name
trans
-aconitic acid
ChEBI ID
CHEBI:32806
ChEBI ASCII Name
trans-aconitic acid
Definition
The
trans
-isomer of aconitic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:10719, CHEBI:27070
Supplier Information
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Formula
C6H6O6
Net Charge
0
Average Mass
174.10824
Monoisotopic Mass
174.01644
InChI
InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+
InChIKey
GTZCVFVGUGFEME-HNQUOIGGSA-N
SMILES
OC(=O)C\C(=C/C(O)=O)C(O)=O
Metabolite of Species
Details
Daphnia magna
(NCBI:txid35525)
See: Mixtures of similarly acting compounds in Daphnia magna: From gene to metabolite and beyondTine Vandenbrouck, Oliver A.H. Jones, Nathalie Dom, Julian L. Griffin, Wim De CoenEnvironment International 36 (2010) 254-268
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):
fundamental metabolite
Any metabolite produced by all living cells.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
trans
-aconitic acid (
CHEBI:32806
)
has role
fundamental metabolite (
CHEBI:78675
)
trans
-aconitic acid (
CHEBI:32806
)
is a
aconitic acid (
CHEBI:22211
)
trans
-aconitic acid (
CHEBI:32806
)
is conjugate acid of
trans
-aconitate(3−) (
CHEBI:15708
)
Incoming
trans
-aconitate(3−) (
CHEBI:15708
)
is conjugate base of
trans
-aconitic acid (
CHEBI:32806
)
IUPAC Name
(1
E
)-prop-1-ene-1,2,3-tricarboxylic acid
Synonyms
Sources
(1
E
)-1-propene-1,2,3-tricarboxylic acid
ChemIDplus
(
E
)-1-propene-1,2,3-tricarboxylic acid
ChemIDplus
trans-Aconitic acid
KEGG COMPOUND
Manual Xrefs
Databases
C02341
KEGG COMPOUND
CPD-225
MetaCyc
ECMDB00958
ECMDB
HMDB0000958
HMDB
TRA
PDBeChem
YMDB00340
YMDB
View more database links
Registry Numbers
Types
Sources
1606182
Gmelin Registry Number
Gmelin
1725830
Reaxys Registry Number
Reaxys
1725830
Beilstein Registry Number
Beilstein
4023-65-8
CAS Registry Number
KEGG COMPOUND
4023-65-8
CAS Registry Number
ChemIDplus
Citations
Types
Sources
16662564
PubMed citation
Europe PMC
17747267
PubMed citation
Europe PMC
21670527
PubMed citation
Europe PMC
2597432
PubMed citation
Europe PMC
3339476
PubMed citation
Europe PMC
6625167
PubMed citation
Europe PMC
Last Modified
23 October 2015