valine (CHEBI:27266)

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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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Formula

C5H11NO2

Net Charge

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.

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

Last Modified

22 January 2016