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
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