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> Main
CHEBI:45969 - tricarballylic acid
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ChEBI Name
tricarballylic acid
ChEBI ID
CHEBI:45969
Definition
A tricarboxylic acid that is glutaric acid in which one of the β-hydrogens is substituted by a carboxy group.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C6H8O6
Net Charge
0
Average Mass
176.12410
Monoisotopic Mass
176.03209
InChI
InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey
KQTIIICEAUMSDG-UHFFFAOYSA-N
SMILES
OC(=O)CC(CC(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
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
tricarballylic acid (
CHEBI:45969
)
is a
tricarboxylic acid (
CHEBI:27093
)
tricarballylic acid (
CHEBI:45969
)
is conjugate acid of
tricarballylate (
CHEBI:62517
)
Incoming
fumonisin (
CHEBI:38224
)
has functional parent
tricarballylic acid (
CHEBI:45969
)
tricarballylate (
CHEBI:62517
)
is conjugate base of
tricarballylic acid (
CHEBI:45969
)
IUPAC Name
propane-1,2,3-tricarboxylic acid
Synonyms
Sources
1,2,3-propanetricarboxylic acid
ChemIDplus
3-carboxyglutaric acid
ChEBI
3-carboxypentanedioic acid
ChEBI
β-carboxyglutaric acid
ChemIDplus
carballylic acid
ChEBI
carboxymethylsuccinic acid
ChEBI
TRICARBALLYLIC ACID
PDBeChem
Manual Xrefs
Databases
LSM-37013
LINCS
TRC
PDBeChem
View more database links
Registry Numbers
Types
Sources
1783567
Reaxys Registry Number
Reaxys
99-14-9
CAS Registry Number
NIST Chemistry WebBook
99-14-9
CAS Registry Number
ChemIDplus
Citation
Type
Source
19922747
PubMed citation
Europe PMC
Last Modified
28 November 2016