CHEBI:27266 - valine

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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.
Supplier Information ChemicalBook:CB5312867, eMolecules:514157
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Valine (symbol Val or V) is an α-amino acid that is used in the biosynthesis of proteins. It contains an α-amino group (which is in the protonated −NH3+ form under biological conditions), an α-carboxylic acid group (which is in the deprotonated −COO− form under biological conditions), and a side chain isopropyl group, making it a non-polar aliphatic amino acid. Valine is essential in humans, meaning the body cannot synthesize it; it must be obtained from dietary sources which are foods that contain proteins, such as meats, dairy products, soy products, beans and legumes. It is encoded by all codons starting with GU (GUU, GUC, GUA, and GUG).
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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 (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted 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.
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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)
(13C5,15N)-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
DL-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
516-06-3 CAS Registry Number ChemIDplus
516-06-3 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations
Last Modified
22 January 2016