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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-aminopteridin-4(3H)-one
ChEBI ID CHEBI:44992
ChEBI ASCII Name 2-aminopteridin-4(3H)-one
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:8627, CHEBI:44990
Supplier Information
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Formula C6H5N5O
Net Charge 0
Average Mass 163.13700
Monoisotopic Mass 163.049
InChI InChI=1S/C6H5N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1-2H,(H3,7,9,10,11,12)
InChIKey HNXQXTQTPAJEJL-UHFFFAOYSA-N
SMILES Nc1nc2nccnc2c(=O)[nH]1
ChEBI Ontology
Outgoing 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(1H)-one (CHEBI:37105)
2-aminopteridin-4(3H)-one (CHEBI:44992) is tautomer of 2-aminopteridin-4-ol (CHEBI:18265)
Incoming 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)
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)
2-aminopteridin-4(1H)-one (CHEBI:37105) is tautomer of 2-aminopteridin-4(3H)-one (CHEBI:44992)
2-aminopteridin-4-ol (CHEBI:18265) is tautomer of 2-aminopteridin-4(3H)-one (CHEBI:44992)
IUPAC Name
2-aminopteridin-4(3H)-one
Synonyms Sources
2-amino-4(3H)-pteridinone ChemIDplus
2-Amino-4-oxopteridine KEGG COMPOUND
Pterin KEGG COMPOUND
PTERINE PDBeChem
Database Links Databases
C00715 KEGG COMPOUND
PE0 PDBeChem
View more database links
Registry Numbers Types Sources
150294 Beilstein Registry Number Beilstein
2236-60-4 CAS Registry Number KEGG COMPOUND
2236-60-4 CAS Registry Number ChemIDplus
Last Modified
09 December 2013