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CHEBI:72290 - pyrithiamine

ChEBI IDCHEBI:72290
ChEBI Namepyrithiamine
Stars
DefinitionA pyridinium ion that is 3-(2-hydroxyethyl)-2-methylpyridine substituted at position 1 by a (4-amino-2-methylpyrimidin-5-yl)methyl group.
Secondary ChEBI IDCHEBI:39662
Last Modified24 September 2014
Submitterjose
DownloadsMolfile
FormulaC14H19N4O
Net Charge+1
Average Mass259.333
Monoisotopic Mass259.15534
SMILESCc1ncc(C[n+]2cccc(CCO)c2C)c(N)n1
InChIInChI=1S/C14H19N4O/c1-10-12(5-7-19)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15/h3-4,6,8,19H,5,7,9H2,1-2H3,(H2,15,16,17)/q+1
InChIKeyPZWYDZMWPANLMB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
pyrithiamine (CHEBI:72290) is a pyridinium ion (CHEBI:50334)
Incoming Relation(s)
pyrithiamine pyrophosphate (CHEBI:45395) has functional parent pyrithiamine (CHEBI:72290)
1-(4-amino-2-methylpyrimidin-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium bromide (CHEBI:15797) has part pyrithiamine (CHEBI:72290)
IUPAC Name 
1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-hydroxyethyl)-2-methylpyridinium
Synonym  Source
pyrithiamine cationChEBI
UniProt Name  Source
1-(4-amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridiniumUniProt
Manual XrefsDatabases
218PDBeChem
Registry NumbersSources
Reaxys:3913157Reaxys