KEGG   COMPOUND: C00378Help
Entry
C00378                      Compound                               
Name
Thiamine;
Thiamin;
Vitamin B1;
Aneurin;
Antiberiberi factor
Formula
C12H17N4OS
Exact mass
265.1123
Mol weight
265.3546
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Thiamine metabolism
Metabolic pathways
ABC transporters
Sulfur relay system
Vitamin digestion and absorption
Enzyme
1.1.3.23        2.5.1.2         2.7.1.89        2.7.6.2         
3.1.3.-         3.5.99.2
Brite
Compounds with biological roles [BR:br08001]
 Cofactors
  Vitamins
   Water-soluble vitamins
    C00378  Thiamine (Vitamin B1)
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        18
            1   N5y N    23.9870  -16.3736 #+
            2   C8y C    24.9737  -17.3720
            3   C1b C    22.7728  -15.6789
            4   C8x C    24.6294  -15.1302
            5   C8y C    26.2173  -16.7415
            6   C1a C    24.9619  -18.7498
            7   C8y C    21.5643  -16.3853
            8   S2x S    26.0070  -15.3578
            9   C1b C    27.4608  -17.3777
            10  C8y C    21.5643  -17.7864
            11  C8x C    20.3384  -15.6847
            12  C1b C    28.6342  -16.6247
            13  N5x N    20.3384  -18.5046
            14  N1a N    22.7728  -18.4929
            15  N5x N    19.1357  -16.3853
            16  O1a O    29.8777  -17.2611
            17  C8y C    19.1357  -17.7864
            18  C1a C    17.9272  -18.4870
BOND        19
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     7  10 2
            10    7  11 1
            11    9  12 1
            12   10  13 1
            13   10  14 1
            14   11  15 2
            15   12  16 1
            16   13  17 2
            17   17  18 1
            18    5   8 1
            19   15  17 1

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