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CHEBI:27714 - 6-acetyl-2-amino-3,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-4-one

ChEBI IDCHEBI:27714
ChEBI Name6-acetyl-2-amino-3,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-4-one
Stars
ASCII Name6-acetyl-2-amino-3,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-4-one
DefinitionA member of the class of pyrimidodiazepine 3,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-4-one bearing amino and acetyl substituents at positions 2 and 6 respectively.
Secondary ChEBI IDsCHEBI:8679, CHEBI:26449, CHEBI:78230
Last Modified16 June 2014
SubmitterKAX
DownloadsMolfile
FormulaC9H11N5O2
Net Charge0
Average Mass221.220
Monoisotopic Mass221.09127
SMILESCC(=O)C1=Nc2c(nc(N)nc2=O)NCC1
InChIInChI=1S/C9H11N5O2/c1-4(15)5-2-3-11-7-6(12-5)8(16)14-9(10)13-7/h2-3H2,1H3,(H4,10,11,13,14,16)
InChIKeyXEAAIJWYCBLWNK-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
6-acetyl-2-amino-3,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-4-one (CHEBI:27714) has role metabolite (CHEBI:25212)
6-acetyl-2-amino-3,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-4-one (CHEBI:27714) is a methyl ketone (CHEBI:51867)
6-acetyl-2-amino-3,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-4-one (CHEBI:27714) is a pyrimidodiazepine (CHEBI:39306)
IUPAC Name 
6-acetyl-2-amino-3,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-4-one
Synonyms  Source
6-AcetyldihydrohomopterinChemIDplus
2-Amino-4-oxo-6-acetyl-7,8-dihydro-3H,9H-pyrimidodiazepineChemIDplus
6-AcetylhomopterinChemIDplus
UniProt Name  Source
2-amino-6-acetyl-3,7,8,9-tetrahydro-3H-pyrimido[4,5-b][1,4]diazepin-4-oneUniProt
Manual XrefsDatabases
A-PYRIMIDODIAZEPINEMetaCyc
Registry NumbersSources
Reaxys:4191851Reaxys
CAS:80003-63-0ChemIDplus
Citations