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

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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

Average Mass

221.21590

Monoisotopic Mass

221.09127

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.

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

Last Modified

16 June 2014