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CHEBI:141050 - 1,6-didemethyltoxoflavin

Default Structure
ChEBI IDCHEBI:141050
ChEBI Name1,6-didemethyltoxoflavin
Stars
DefinitionA pyrimidotriazine that is 5,6,7,8-tetrahydropyrimido[5,4-e][1,2,4]triazine with oxo groups at positions 5 and 7.
Last Modified19 October 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC5H3N5O2
Net Charge0
Average Mass165.112
Monoisotopic Mass165.02867
SMILESO=c1nc(=O)c2ncnnc2n1
InChIInChI=1S/C5H3N5O2/c11-4-2-3(8-5(12)9-4)10-7-1-6-2/h1H,(H2,8,9,10,11,12)
InChIKeyIDJLTUNWTSUIHO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1,6-didemethyltoxoflavin (CHEBI:141050) is a carbonyl compound (CHEBI:36586)
1,6-didemethyltoxoflavin (CHEBI:141050) is a pyrimidotriazine (CHEBI:131697)
Incoming Relation(s)
reumycin (CHEBI:121196) has functional parent 1,6-didemethyltoxoflavin (CHEBI:141050)
IUPAC Name 
pyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione
Synonym  Source
8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dioneChEBI
UniProt Name  Source
1,6-didemethyltoxoflavinUniProt
Manual XrefsDatabases
AZ8PDBeChem
C21956KEGG COMPOUND
CPD-21063MetaCyc
Registry NumbersSources
Reaxys:1110645Reaxys
CAS:19359-69-4PubChem Compound
Citations