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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
Supplier Information
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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
View more database links
Registry Number
Type
Source
3913157
Reaxys Registry Number
Reaxys
Last Modified
24 September 2014