Record Information
public_id FDB008424
Chemical Information
name Thiamine
description Essential vitamin. Present in yeast, eggs, liver, milk, green vegetables, roots, tubers and cereals, esp. rice husks. Dietary supplement esp. in baked goods and grain products
cas_number 70-16-6
Properties
created_at 2010-04-08 22:08:04
updated_at 2011-10-30 14:31:07
moldb_smiles CC1=C(CCO)SC=[N+]1CC1=C(N)N=C(C)N=C1
moldb_formula C12H17N4OS
moldb_average_mass 265.355
moldb_inchi InChI=1S/C12H17N4OS/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)/q+1
moldb_mono_mass 265.112306876
moldb_inchikey InChIKey=JZRWCGZRTZMZEH-UHFFFAOYSA-N
moldb_iupac 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium
Structure Thumb
Synonyms
Synonym Source
Aneurine db_source
Antiberiberi factor biospider
Biamine biospider
Thiamin biospider
Vitamin B1 db_source
3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium(1+), 9CI, 8CI db_source
Oryzanin db_source
Torulin db_source
Vitaneurin db_source