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CHEBI:44992 - 2-aminopteridin-4(3H)-one

ChEBI IDCHEBI:44992
ChEBI Name2-aminopteridin-4(3H)-one
Stars
ASCII Name2-aminopteridin-4(3H)-one
Secondary ChEBI IDsCHEBI:8627, CHEBI:44990
Last Modified9 December 2013
DownloadsMolfile
FormulaC6H5N5O
Net Charge0
Average Mass163.140
Monoisotopic Mass163.04941
SMILESNc1nc(=O)c2nccnc2n1
InChIInChI=1S/C6H5N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1-2H,(H3,7,9,10,11,12)
InChIKeyHNXQXTQTPAJEJL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-aminopteridin-4(3H)-one (CHEBI:44992) is a pterin (CHEBI:26374)
2-aminopteridin-4(3H)-one (CHEBI:44992) is tautomer of 2-aminopteridin-4-ol (CHEBI:18265)
2-aminopteridin-4(3H)-one (CHEBI:44992) is tautomer of 2-aminopteridin-4(1H)-one (CHEBI:37105)
Incoming Relation(s)
N6-[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]-D-lysine (CHEBI:76630) has functional parent 2-aminopteridin-4(3H)-one (CHEBI:44992)
4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoic acid (CHEBI:37055) has functional parent 2-aminopteridin-4(3H)-one (CHEBI:44992)
2-aminopteridin-4-ol (CHEBI:18265) is tautomer of 2-aminopteridin-4(3H)-one (CHEBI:44992)
2-aminopteridin-4(1H)-one (CHEBI:37105) is tautomer of 2-aminopteridin-4(3H)-one (CHEBI:44992)
IUPAC Name 
2-aminopteridin-4(3H)-one
Synonyms  Source
PterinKEGG COMPOUND
2-Amino-4-oxopteridineKEGG COMPOUND
PTERINEPDBeChem
2-amino-4(3H)-pteridinoneChemIDplus
Manual XrefsDatabases
C00715KEGG COMPOUND
PE0PDBeChem
Registry NumbersSources
Beilstein:150294Beilstein
CAS:2236-60-4KEGG COMPOUND
CAS:2236-60-4ChemIDplus