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CHEBI:45969 - tricarballylic acid

ChEBI IDCHEBI:45969
ChEBI Nametricarballylic acid
Stars
DefinitionA tricarboxylic acid that is glutaric acid in which one of the β-hydrogens is substituted by a carboxy group.
Last Modified28 November 2016
DownloadsMolfile
FormulaC6H8O6
Net Charge0
Average Mass176.124
Monoisotopic Mass176.03209
SMILESO=C(O)CC(CC(=O)O)C(=O)O
InChIInChI=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)
InChIKeyKQTIIICEAUMSDG-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
tricarballylic acid (CHEBI:45969) is a tricarboxylic acid (CHEBI:27093)
tricarballylic acid (CHEBI:45969) is conjugate acid of tricarballylate (CHEBI:62517)
Incoming Relation(s)
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  Source
TRICARBALLYLIC ACIDPDBeChem
β-carboxyglutaric acidChemIDplus
1,2,3-propanetricarboxylic acidChemIDplus
carboxymethylsuccinic acidChEBI
3-carboxyglutaric acidChEBI
3-carboxypentanedioic acidChEBI
Manual XrefsDatabases
TRCPDBeChem
LSM-37013LINCS
Registry NumbersSources
Reaxys:1783567Reaxys
CAS:99-14-9ChemIDplus
CAS:99-14-9NIST Chemistry WebBook
Citations