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 search
Reaction
Pathway
map00730  Thiamine metabolism
map01100  Metabolic pathways
map02010  ABC transporters
map04122  Sulfur relay system
map04977  Vitamin digestion and absorption
Enzyme
1.1.3.23        2.5.1.2         2.7.1.89        2.7.6.2         
3.1.3.1         3.1.3.2         3.1.3.100       3.5.99.2
Brite
Compounds with biological roles [BR:br08001]
 Vitamins and Cofactors
  Vitamins
   Water-soluble vitamins
    C00378  Thiamine (Vitamin B1)
BRITE hierarchy
Other DBs
PubChem: 3668
ChEBI: 18385
ChEMBL: CHEMBL1547
KNApSAcK: C00000775
PDB-CCD: VIB[PDBj]
3DMET: B00096
NIKKAJI: J203.781E
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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