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> Main
CHEBI:16087 - isocitrate(3−)
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ChEBI Name
isocitrate(3−)
ChEBI ID
CHEBI:16087
ChEBI ASCII Name
isocitrate(3-)
Definition
Propan-1-ol with a hydrogen at each of the 3 carbon positions substituted with a carboxylate group.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:14465, CHEBI:24884
Supplier Information
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Formula
C6H5O7
Net Charge
-3
Average Mass
189.09970
Monoisotopic Mass
189.00517
InChI
InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/p-3
InChIKey
ODBLHEXUDAPZAU-UHFFFAOYSA-K
SMILES
OC(C(CC([O-])=O)C([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
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
isocitrate(3−) (
CHEBI:16087
)
has role
Saccharomyces cerevisiae
metabolite (
CHEBI:75772
)
isocitrate(3−) (
CHEBI:16087
)
has role
human metabolite (
CHEBI:77746
)
isocitrate(3−) (
CHEBI:16087
)
is a
tricarboxylic acid trianion (
CHEBI:27092
)
isocitrate(3−) (
CHEBI:16087
)
is conjugate base of
isocitrate(2−) (
CHEBI:36453
)
Incoming
D
-
erythro
-isocitrate(3−) (
CHEBI:15563
)
is a
isocitrate(3−) (
CHEBI:16087
)
D
-
threo
-isocitrate(3−) (
CHEBI:15562
)
is a
isocitrate(3−) (
CHEBI:16087
)
L
-
erythro
-isocitrate(3−) (
CHEBI:30897
)
is a
isocitrate(3−) (
CHEBI:16087
)
L
-
threo
-isocitrate(3−) (
CHEBI:30896
)
is a
isocitrate(3−) (
CHEBI:16087
)
isocitrate(2−) (
CHEBI:36453
)
is conjugate acid of
isocitrate(3−) (
CHEBI:16087
)
IUPAC Names
1-hydroxypropane-1,2,3-tricarboxylate
3-carboxylato-2,3-dideoxypentarate
Synonym
Source
1-hydroxytricarballylate
ChEBI
Manual Xrefs
Databases
C00311
KEGG COMPOUND
HMDB0000193
HMDB
Isocitrate
MetaCyc
View more database links
Registry Numbers
Types
Sources
329802
Gmelin Registry Number
Gmelin
3971277
Reaxys Registry Number
Reaxys
Last Modified
04 June 2020
General Comment
2004-09-01
The isomer generally involved in enzymic reactions has stereochemistry (1R,2S). See CHEBI:15562.