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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:32805 -
cis
-aconitic acid
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ChEBI Name
cis
-aconitic acid
ChEBI ID
CHEBI:32805
ChEBI ASCII Name
cis-aconitic acid
Definition
The
cis
-isomer of aconitic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:10482, CHEBI:23308
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-IWQZZHSRSA-N
SMILES
OC(=O)C\C(=C\C(O)=O)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):
fundamental metabolite
Any metabolite produced by all living cells.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
cis
-aconitic acid (
CHEBI:32805
)
has role
fundamental metabolite (
CHEBI:78675
)
cis
-aconitic acid (
CHEBI:32805
)
is a
aconitic acid (
CHEBI:22211
)
cis
-aconitic acid (
CHEBI:32805
)
is conjugate acid of
cis
-aconitate(3−) (
CHEBI:16383
)
Incoming
cis
-aconitate(3−) (
CHEBI:16383
)
is conjugate base of
cis
-aconitic acid (
CHEBI:32805
)
IUPAC Name
(1
Z
)-prop-1-ene-1,2,3-tricarboxylic acid
Synonyms
Sources
(
Z
)-1-propene-1,2,3-tricarboxylic acid
ChemIDplus
cis
-1-propene-1,2,3-tricarboxylic acid
ChemIDplus
cis-Aconitic acid
KEGG COMPOUND
Manual Xrefs
Databases
C00001177
KNApSAcK
C00417
KEGG COMPOUND
CIS-ACONITATE
MetaCyc
HMDB0000072
HMDB
View more database links
Registry Numbers
Types
Sources
1725829
Beilstein Registry Number
Beilstein
1725829
Reaxys Registry Number
Reaxys
585-84-2
CAS Registry Number
KEGG COMPOUND
585-84-2
CAS Registry Number
ChemIDplus
Last Modified
23 October 2015