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CHEBI:71172 - 3,4,5,6-tetrahydrohippuric acid
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ChEBI Ontology
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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.
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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 (Br
o
nsted 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.
View more via ChEBI Ontology
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
Type
Source
22770225
PubMed citation
Europe PMC
Last Modified
12 March 2018