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ChEBI
> Main
CHEBI:70984 -
N
-isovalerylglycine
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ChEBI Ontology
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ChEBI Name
N
-isovalerylglycine
ChEBI ID
CHEBI:70984
ChEBI ASCII Name
N-isovalerylglycine
Definition
An
N
-acylglycine in which the acyl group is specified as isovaleryl.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
No supplier information found for this compound.
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Formula
C7H13NO3
Net Charge
0
Average Mass
159.18300
Monoisotopic Mass
159.08954
InChI
InChI=1S/C7H13NO3/c1-5(2)3-6(9)8-4-7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKey
ZRQXMKMBBMNNQC-UHFFFAOYSA-N
SMILES
CC(C)CC(=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
-isovalerylglycine (
CHEBI:70984
)
has role
human urinary metabolite (
CHEBI:84087
)
N
-isovalerylglycine (
CHEBI:70984
)
is a
N
-acylglycine (
CHEBI:16180
)
N
-isovalerylglycine (
CHEBI:70984
)
is conjugate acid of
N
-isovalerylglycinate (
CHEBI:133611
)
Incoming
N
-isovalerylglycinate (
CHEBI:133611
)
is conjugate base of
N
-isovalerylglycine (
CHEBI:70984
)
IUPAC Names
[(3-methylbutanoyl)amino]acetic acid
N
-(3-methylbutanoyl)glycine
Synonyms
Sources
2-(3-Methylbutanoylamino)ethanoic acid
HMDB
isopentanoylglycine
ChEBI
isovalerylglycine
ChEBI
N
-isopentanoylglycine
ChEBI
N
-Isovaleroylglycine
HMDB
Manual Xref
Database
HMDB0000678
HMDB
View more database links
Registry Number
Type
Source
1766622
Reaxys Registry Number
Reaxys
Citations
Last Modified
12 October 2016