CHEBI:72290 - pyrithiamine

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ChEBI Name pyrithiamine
ChEBI ID CHEBI:72290
Definition A pyridinium ion that is 3-(2-hydroxyethyl)-2-methylpyridine substituted at position 1 by a (4-amino-2-methylpyrimidin-5-yl)methyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter jose
Secondary ChEBI IDs CHEBI:39662
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Formula C14H19N4O
Net Charge +1
Average Mass 259.32690
Monoisotopic Mass 259.15534
InChI InChI=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
InChIKey PZWYDZMWPANLMB-UHFFFAOYSA-N
SMILES Cc1ncc(C[n+]2cccc(CCO)c2C)c(N)n1
ChEBI Ontology
Outgoing pyrithiamine (CHEBI:72290) is a pyridinium ion (CHEBI:50334)
Incoming 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
Synonyms Sources
1-(4-amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium UniProt
pyrithiamine cation ChEBI
Manual Xref Database
218 PDBeChem
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Registry Number Type Source
3913157 Reaxys Registry Number Reaxys
Last Modified
24 September 2014