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ChEBI
> Main
CHEBI:27266 - valine
Main
ChEBI Ontology
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ChEBI Name
valine
ChEBI ID
CHEBI:27266
Definition
A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the α-carbon is substituted by an isopropyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Wikipedia
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Read full article at Wikipedia
Formula
C5H11NO2
Net Charge
0
Average Mass
117.14638
Monoisotopic Mass
117.07898
InChI
InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)
InChIKey
KZSNJWFQEVHDMF-UHFFFAOYSA-N
SMILES
CC(C)C(N)C(O)=O
Metabolite of Species
Details
Daphnia magna
(NCBI:txid35525)
See: Mixtures of similarly acting compounds in Daphnia magna: From gene to metabolite and beyondTine Vandenbrouck, Oliver A.H. Jones, Nathalie Dom, Julian L. Griffin, Wim De CoenEnvironment International 36 (2010) 254-268
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Daphnia magna metabolite
A
Daphnia
metabolite produced by the species
Daphnia magna
.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
valine (
CHEBI:27266
)
has part
isopropyl group (
CHEBI:30353
)
valine (
CHEBI:27266
)
has role
Daphnia magna
metabolite (
CHEBI:83056
)
valine (
CHEBI:27266
)
has role
plant metabolite (
CHEBI:76924
)
valine (
CHEBI:27266
)
is a
α-amino acid (
CHEBI:33704
)
valine (
CHEBI:27266
)
is a
branched-chain amino acid (
CHEBI:22918
)
valine (
CHEBI:27266
)
is conjugate acid of
valinate (
CHEBI:32859
)
valine (
CHEBI:27266
)
is conjugate base of
valinium (
CHEBI:32860
)
Incoming
fluvalinate (
CHEBI:5135
)
has functional parent
valine (
CHEBI:27266
)
valine derivative (
CHEBI:27267
)
has functional parent
valine (
CHEBI:27266
)
(
13
C
5
,
15
N)-valine (
CHEBI:87977
)
is a
valine (
CHEBI:27266
)
D
-valine (
CHEBI:27477
)
is a
valine (
CHEBI:27266
)
L
-valine (
CHEBI:16414
)
is a
valine (
CHEBI:27266
)
valinium (
CHEBI:32860
)
is conjugate acid of
valine (
CHEBI:27266
)
valinate (
CHEBI:32859
)
is conjugate base of
valine (
CHEBI:27266
)
valine residue (
CHEBI:32861
)
is substituent group from
valine (
CHEBI:27266
)
valino group (
CHEBI:27268
)
is substituent group from
valine (
CHEBI:27266
)
valyl group (
CHEBI:37897
)
is substituent group from
valine (
CHEBI:27266
)
IUPAC Name
valine
Synonyms
Sources
2-amino-3-methylbutanoic acid
IUPAC
D
L
-valine
ChEBI
Hval
IUPAC
Valin
ChEBI
valina
ChEBI
Manual Xrefs
Databases
C16436
KEGG COMPOUND
Valine
Wikipedia
View more database links
Registry Numbers
Types
Sources
49877
Gmelin Registry Number
Gmelin
506689
Reaxys Registry Number
Reaxys
506689
Beilstein Registry Number
Beilstein
516-06-3
CAS Registry Number
ChemIDplus
516-06-3
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
17190852
PubMed citation
Europe PMC
22770225
PubMed citation
Europe PMC
Last Modified
22 January 2016