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

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ChEBI Name 2-amino-6,7-dimethyl-5-[(1-octyl-3-pyridin-1-iumyl)-oxomethyl]-1,6,7,8-tetrahydropteridin-4-one
ChEBI ID CHEBI:104153
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H33N6O2
Net Charge +1
Average Mass 413.537
Monoisotopic Mass 413.26595
InChI InChI=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
InChIKey INZXOUIJUWOAQI-UHFFFAOYSA-O
SMILES CCCCCCCC[N+]1=CC=CC(=C1)C(=O)N2C(C(NC3=C2C(=O)N=C(N3)N)C)C
ChEBI Ontology
Outgoing 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 Xref Database
LSM-15512 LINCS
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