EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:104153 - 2-amino-6,7-dimethyl-5-[(1-octyl-3-pyridin-1-iumyl)-oxomethyl]-1,6,7,8-tetrahydropteridin-4-one

ChEBI IDCHEBI:104153
ChEBI Name2-amino-6,7-dimethyl-5-[(1-octyl-3-pyridin-1-iumyl)-oxomethyl]-1,6,7,8-tetrahydropteridin-4-one
Stars
DownloadsMolfile
FormulaC22H33N6O2
Net Charge+1
Average Mass413.546
Monoisotopic Mass413.26595
SMILESCCCCCCCC[n+]1cccc(C(=O)N2c3c(nc(N)nc3=O)NC(C)C2C)c1
InChIInChI=1S/C22H32N6O2/c1-4-5-6-7-8-9-12-27-13-10-11-17(14-27)21(30)28-16(3)15(2)24-19-18(28)20(29)26-22(23)25-19/h10-11,13-16H,4-9,12H2,1-3H3,(H3-,23,24,25,26,29)/p+1
InChIKeyINZXOUIJUWOAQI-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
2-amino-6,7-dimethyl-5-[(1-octyl-3-pyridin-1-iumyl)-oxomethyl]-1,6,7,8-tetrahydropteridin-4-one (CHEBI:104153) is a pterins (CHEBI:26375)
Manual XrefsDatabases
LSM-15512LINCS