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CHEBI:87977 - (13C5,15N)-valine

ChEBI IDCHEBI:87977
ChEBI Name(13C5,15N)-valine
Stars
ASCII Name((13)C5,(15)N)-valine
DefinitionAn L-α-amino acid that is L-valine in which all five carbons are 13C isotopes while the nitrogen is the 15N isotope.
Last Modified3 January 2018
Submittermwilliams
DownloadsMolfile
Formula[13C5]H11O2
Net Charge0
Average Mass123.103
Monoisotopic Mass123.09279
SMILES[13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O
InChIInChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1
InChIKeyKZSNJWFQEVHDMF-XAFSXMPTSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) - MetaboLights (MTBLS171)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
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 Relation(s)
(13C5,15N)-valine (CHEBI:87977) is a 13C-modified compound (CHEBI:139357)
(13C5,15N)-valine (CHEBI:87977) is a 15N-modified compound (CHEBI:139360)
(13C5,15N)-valine (CHEBI:87977) is a L-α-amino acid (CHEBI:15705)
(13C5,15N)-valine (CHEBI:87977) is a valine (CHEBI:27266)
IUPAC Name 
L-(13C5,15N)valine
Registry NumbersSources
Reaxys:8056344Reaxys