| 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 |
|
| 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 |
|
