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

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ChEBI Name 6-acetyl-2-amino-3,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-4-one
ChEBI ID CHEBI:27714
ChEBI ASCII Name 6-acetyl-2-amino-3,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-4-one
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Secondary ChEBI IDs CHEBI:8679, CHEBI:26449, CHEBI:78230
Supplier Information
Download Molfile XML SDF
Formula C9H11N5O2
Net Charge 0
Average Mass 221.21590
Monoisotopic Mass 221.091
InChI InChI=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)
InChIKey XEAAIJWYCBLWNK-UHFFFAOYSA-N
SMILES CC(=O)C1=Nc2c(NCC1)nc(N)[nH]c2=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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 Sources
2-Amino-4-oxo-6-acetyl-7,8-dihydro-3H,9H-pyrimidodiazepine ChemIDplus
2-amino-6-acetyl-3,7,8,9-tetrahydro-3H-pyrimido[4,5-b][1,4]diazepin-4-one UniProt
6-Acetyldihydrohomopterin ChemIDplus
6-Acetylhomopterin ChemIDplus
Manual Xref Database
A-PYRIMIDODIAZEPINE MetaCyc
View more database links
Registry Numbers Types Sources
4191851 Reaxys Registry Number Reaxys
80003-63-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
16712527 PubMed citation SUBMITTER
2775176 PubMed citation Europe PMC
7171579 PubMed citation Europe PMC
Last Modified
16 June 2014