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thiamine acetate

PropertiesImageOccurences in reactions
MNX_IDMNXM3715Image of MNXM3715
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
formulaC12H14N4O2S
charge0
mass278.33132
referencechebi:58438
InChIKeyQNGQHEBFAUOYHC-UHFFFAOYSA-N
InChIInChI=1S/C12H14N4O2S/c1-7-10(3-11(17)18)19-6-16(7)5-9-4-14-8(2)15-12(9)13/h4,6H,3,5H2,1-2H3,(H2-,13,14,15,17,18)
SMILESCc1c(CC([O-])=O)sc[n+]1Cc1cnc(C)nc1N
Parent-child relations graph
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:58438
chebi:58438
thiamine acetate
thiaminium carboxylate betaine
{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl}acetate
seed.compound:cpd01852
seedM:cpd01852
Thiamin acetic acid
3-(2'-methyl-4'-amino-5'-pyrimidylmethyl)-4-methylthiazole-5-acetate
Thiamine acetic acid
thiamin acetate
thiamine acetate
thiamine acetic acid
kegg.compound:C02892
keggC:C02892
Thiamine acetic acid
Thiamin acetic acid
metacyc.compound:CPD-7101
metacycM:CPD-7101
thiamine acetate
3-(2'-methyl-4'-amino-5'-pyrimidylmethyl)-4-methylthiazole-5-acetate
thiamin acetate
thiamine acetic acid
CHEBI:18306
chebi:18306
thiamine(1+) carboxylic acid
3-(2'-methyl-4'-amino-5'-pyrimidylmethyl)-4-methylthiazole-5-acetic acid
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(carboxymethyl)-4-methyl-1,3-thiazol-3-ium
Thiamin acetic acid
Thiamine acetic acid
chebi:15228
chebi:25749
chebi:26942
chebi:9531
keggC:M_C02892
seedM:M_cpd01852
secondary/obsolete/fantasy identifier