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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (13C5,15N)-valine
ChEBI ID CHEBI:87977
ChEBI ASCII Name ((13)C5,(15)N)-valine
Definition An L-α-amino acid that is L-valine in which all five carbons are 13C isotopes while the nitrogen is the 15N isotope.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information eMolecules:26752499, ZINC000100163363
Download Molfile XML SDF
Formula [13C]5H11[15N]O2
Net Charge 0
Average Mass 123.103
Monoisotopic Mass 123.09279
InChI InChI=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
InChIKey KZSNJWFQEVHDMF-XAFSXMPTSA-N
SMILES O=[13C](O)[13C@@H]([15NH2])[13CH]([13CH3])[13CH3]
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) See: MetaboLights Study
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.
(via valine )
Daphnia magna metabolite
A Daphnia metabolite produced by the species Daphnia magna.
(via valine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 Number Type Source
8056344 Reaxys Registry Number Reaxys
Last Modified
03 January 2018