Compound Details

 Compound-ID 2032
 Common Name Thiamin
 Synonyms Thiamine
Vitamin B1
Aneurin
Antiberiberi factor
 InChI InChI=1S/C12H17N4OS.ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);1H/q+1;/p-1
 SMILES Cc2ncc(C[n+]1csc(CCO)c1(C))c(N)n2
 External Links
 KEGG-COMPOUND-ID C00378
 PUBCHEM-ID 3668
 ChEBI-ID 18385
33283
 METANETX-ID MNXM730136
 BioModels 18385


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