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CHEBI:16898 - pyrimidine

ChEBI IDCHEBI:16898
ChEBI Namepyrimidine
Stars
DefinitionThe parent compound of the pyrimidines; a diazine having the two nitrogens at the 1- and 3-positions.
Secondary ChEBI IDsCHEBI:8675, CHEBI:14982, CHEBI:44847
Last Modified23 October 2015
DownloadsMolfile
FormulaC4H4N2
Net Charge0
Average Mass80.090
Monoisotopic Mass80.03745
SMILESc1cncnc1
InChIInChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H
InChIKeyCZPWVGJYEJSRLH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Daphnia magna (ncbitaxon:35525) - Article (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
Biological Role:
Daphnia magna metabolite  A Daphnia metabolite produced by the species Daphnia magna.
ChEBI Ontology
Outgoing Relation(s)
pyrimidine (CHEBI:16898) has role Daphnia magna metabolite (CHEBI:83056)
pyrimidine (CHEBI:16898) is a diazine (CHEBI:38627)
pyrimidine (CHEBI:16898) is a pyrimidines (CHEBI:39447)
IUPAC Name 
pyrimidine
Synonyms  Source
1,3-DiazinChEBI
1,3-DiazineKEGG COMPOUND
m-diazineNIST Chemistry WebBook
MetadiazineKEGG COMPOUND
PyrimidinChEBI
PyrimidineKEGG COMPOUND
UniProt Name  Source
pyrimidineUniProt
Manual XrefsDatabases
C00396KEGG COMPOUND
P1RPDBeChem
Registry NumbersSources
Beilstein:103894Beilstein
Gmelin:49324Gmelin
CAS:289-95-2KEGG COMPOUND
CAS:289-95-2ChemIDplus
CAS:289-95-2NIST Chemistry WebBook
Citations