CHEBI:141050 - 1,6-didemethyltoxoflavin

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 1,6-didemethyltoxoflavin ChEBI ID CHEBI:141050 Definition A pyrimidotriazine that is 5,6,7,8-tetrahydropyrimido[5,4-e][1,2,4]triazine with oxo groups at positions 5 and 7. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C5H3N5O2 Net Charge 0 Average Mass 165.110 Monoisotopic Mass 165.02867 InChI InChI=1S/C5H3N5O2/c11-4-2-3(8-5(12)9-4)10-7-1-6-2/h1H,(H2,8,9,10,11,12) InChIKey IDJLTUNWTSUIHO-UHFFFAOYSA-N SMILES N1=CN=C2C(=N1)NC(NC2=O)=O ChEBI Ontology Outgoing 1,6-didemethyltoxoflavin (CHEBI:141050) is a carbonyl compound (CHEBI:36586) 1,6-didemethyltoxoflavin (CHEBI:141050) is a pyrimidotriazine (CHEBI:131697) Incoming 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 Synonyms Sources 1,6-didemethyltoxoflavin UniProt 8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione ChEBI Manual Xrefs Databases AZ8 PDBeChem C21956 KEGG COMPOUND CPD-21063 MetaCyc View more database links Registry Numbers Types Sources 1110645 Reaxys Registry Number Reaxys 19359-69-4 CAS Registry Number PubChem Citation Type Source 27070241 PubMed citation Europe PMC Last Modified 19 October 2018

General Comment 2018-10-19 Relevant Articles: Temple Jr, C., Kussner, C.L., and Montgomery, J.A. (1969) Pyrimido[5,4-e]-as-triazines. III. Preparation and some reactions of 5-substituted pyrimido[5,4-e]-as-triazines. J. Org. Chem., 34(7), 2102-2106.