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CHEBI:229982 - 1,3-Cyclohexanedicarboxylic acid

Default Structure
ChEBI IDCHEBI:229982
ChEBI Name1,3-Cyclohexanedicarboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H12O4
Net Charge0
Average Mass172.180
Monoisotopic Mass172.07356
SMILESO=C(O)C1CCCC(C(=O)O)C1
InChIInChI=1S/C8H12O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)
InChIKeyXBZSBBLNHFMTEB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
1,3-Cyclohexanedicarboxylic acid (CHEBI:229982) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
cyclohexane-1,3-dicarboxylic acid
Manual XrefsDatabases
96474ChemSpider