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

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ChEBI Name 3,4,5,6-tetrahydrohippuric acid
ChEBI ID CHEBI:71172
Definition An N-acylglycine in which the acyl group is specifed as cyclohex-1-en-1-ylcarbonyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C9H13NO3
Net Charge 0
Average Mass 183.20440
Monoisotopic Mass 183.08954
InChI InChI=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)
InChIKey OSUSJBWSQBKORT-UHFFFAOYSA-N
SMILES OC(=O)CNC(=O)C1=CCCCC1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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 Numbers Types Sources
2097102 Reaxys Registry Number Reaxys
64253-92-5 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
22770225 PubMed citation Europe PMC
Last Modified
12 March 2018