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CHEBI:100148 - 1,1,1-propanetricarboxylic acid

ChEBI IDCHEBI:100148
ChEBI Name1,1,1-propanetricarboxylic acid
Stars
DefinitionA acid that is propane in which three carboxy groups are attached at the C-1 position.
Last Modified4 March 2016
DownloadsMolfile
FormulaC6H8O6
Net Charge0
Average Mass176.124
Monoisotopic Mass176.03209
SMILESCCC(C(=O)O)(C(=O)O)C(=O)O
InChIInChI=1S/C6H8O6/c1-2-6(3(7)8,4(9)10)5(11)12/h2H2,1H3,(H,7,8)(H,9,10)(H,11,12)
InChIKeyCEGRHPCDLKAHJD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) - MetaboLights (MTBLS171)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
1,1,1-propanetricarboxylic acid (CHEBI:100148) is a tricarboxylic acid (CHEBI:27093)
1,1,1-propanetricarboxylic acid (CHEBI:100148) is conjugate acid of 1,1,1-propanetricarboxylate (CHEBI:87985)
Incoming Relation(s)
1,1,1-propanetricarboxylate (CHEBI:87985) is conjugate base of 1,1,1-propanetricarboxylic acid (CHEBI:100148)
Synonym  Source
propane-1,1,1-tricarboxylic acidChEBI
Registry NumbersSources
Reaxys:13832806Reaxys