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ChEBI
> Main
CHEBI:70979 -
N
-isobutyrylglycine
Main
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ChEBI Name
N
-isobutyrylglycine
ChEBI ID
CHEBI:70979
ChEBI ASCII Name
N-isobutyrylglycine
Definition
An
N
-acylglycine in which the acyl group is specified as isobutryl.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C6H11NO3
Net Charge
0
Average Mass
145.15640
Monoisotopic Mass
145.07389
InChI
InChI=1S/C6H11NO3/c1-4(2)6(10)7-3-5(8)9/h4H,3H2,1-2H3,(H,7,10)(H,8,9)
InChIKey
DCICDMMXFIELDF-UHFFFAOYSA-N
SMILES
CC(C)C(=O)NCC(O)=O
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):
human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
N
-isobutyrylglycine (
CHEBI:70979
)
has role
human urinary metabolite (
CHEBI:84087
)
N
-isobutyrylglycine (
CHEBI:70979
)
is a
N
-acylglycine (
CHEBI:16180
)
N
-isobutyrylglycine (
CHEBI:70979
)
is conjugate acid of
N
-isobutyrylglycinate (
CHEBI:133610
)
Incoming
N
-isobutyrylglycinate (
CHEBI:133610
)
is conjugate base of
N
-isobutyrylglycine (
CHEBI:70979
)
IUPAC Names
[(2-methylpropanoyl)amino]acetic acid
N
-(2-methylpropanoyl)glycine
Synonyms
Sources
isobutanoylglycine
ChEBI
isobutyrylglycine
HMDB
N
-isobutanoylglycine
ChEBI
Manual Xref
Database
HMDB0000730
HMDB
View more database links
Registry Number
Type
Source
1762789
Reaxys Registry Number
Reaxys
Citations
Types
Sources
14723814
PubMed citation
Europe PMC
17712735
PubMed citation
Europe PMC
20528888
PubMed citation
Europe PMC
20836999
PubMed citation
Europe PMC
22770225
PubMed citation
Europe PMC
23062437
PubMed citation
Europe PMC
7360517
PubMed citation
Europe PMC
7408214
PubMed citation
Europe PMC
8548022
PubMed citation
Europe PMC
Last Modified
12 October 2016