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CHEBI:71172 - 3,4,5,6-tetrahydrohippuric acid

ChEBI IDCHEBI:71172
ChEBI Name3,4,5,6-tetrahydrohippuric acid
Stars
DefinitionAn N-acylglycine in which the acyl group is specifed as cyclohex-1-en-1-ylcarbonyl.
Last Modified12 March 2018
Submittermwilliams
DownloadsMolfile
FormulaC9H13NO3
Net Charge0
Average Mass183.207
Monoisotopic Mass183.08954
SMILESO=C(O)CNC(=O)C1=CCCCC1
InChIInChI=1S/C9H13NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h4H,1-3,5-6H2,(H,10,13)(H,11,12)
InChIKeyOSUSJBWSQBKORT-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
3,4,5,6-tetrahydrohippuric acid (CHEBI:71172) has role metabolite (CHEBI:25212)
3,4,5,6-tetrahydrohippuric acid (CHEBI:71172) is a N-acylglycine (CHEBI:16180)
IUPAC Names 
[(cyclohex-1-en-1-ylcarbonyl)amino]acetic acid
N-(cyclohex-1-en-1-ylcarbonyl)glycine
Registry NumbersSources
Reaxys:2097102Reaxys
CAS:64253-92-5ChemIDplus
Citations