KEGG   COMPOUND: C00068Help
Entry
C00068                      Compound                               

Name
Thiamin diphosphate;
Thiamine diphosphate;
Thiamin pyrophosphate;
TPP;
ThPP
Formula
C12H19N4O7P2S
Exact mass
425.045
Mol weight
425.3144
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00010  Glycolysis / Gluconeogenesis
map00020  Citrate cycle (TCA cycle)
map00280  Valine, leucine and isoleucine degradation
map00620  Pyruvate metabolism
map00640  Propanoate metabolism
map00730  Thiamine metabolism
map01100  Metabolic pathways
map04977  Vitamin digestion and absorption
Module
M00127  Thiamine biosynthesis, AIR => thiamine-P/thiamine-2P
Enzyme
1.2.4.1         1.2.4.2         1.2.4.4         2.2.1.1         
2.2.1.3         2.2.1.6         2.7.4.3         2.7.4.15        
2.7.4.16        2.7.6.2         3.6.1.15        3.6.1.28        
3.6.1.-         4.1.1.1
Brite
Compounds with biological roles [BR:br08001]
 Vitamins and Cofactors
  Cofactors
   Coenzymes
    C00068  TPP
BRITE hierarchy
Other DBs
PubChem: 3368
ChEBI: 9532
ChEMBL: CHEMBL1236235 CHEMBL1236376
KNApSAcK: C00019627
PDB-CCD: TDP[PDBj] TPP[PDBj]
3DMET: B01146
NIKKAJI: J184.400H J232.214E
KCF data Show

ATOM        26
            1   N5y N    22.1981  -22.6675 #+
            2   C8y C    23.1854  -23.6608
            3   C1b C    20.9887  -21.9723
            4   C8x C    22.8465  -21.4172
            5   C8y C    24.4358  -23.0297
            6   C1a C    22.9634  -25.0397
            7   C8y C    19.7793  -22.6734
            8   S2x S    24.2254  -21.6451
            9   C1b C    25.6803  -23.6666
            10  C8y C    19.7793  -24.0756
            11  C8x C    18.5525  -21.9723
            12  C1b C    26.8546  -22.9130
            13  N5x N    18.5525  -24.7942
            14  N1a N    20.9887  -24.7825
            15  N5x N    17.3431  -22.6734
            16  O2b O    28.0989  -23.5497
            17  C8y C    17.3431  -24.0756
            18  C1a C    16.1337  -24.7767
            19  P1b P    29.4989  -23.5497
            20  O2c O    30.8989  -23.5497
            21  O1c O    29.4989  -22.1497
            22  O1c O    29.4989  -24.9497
            23  P1b P    32.2989  -23.5497
            24  O1c O    33.6989  -23.5497
            25  O1c O    32.2989  -22.1497
            26  O1c O    32.2989  -24.9497
BOND        27
            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
            20   16  19 1
            21   19  20 1
            22   19  21 2
            23   19  22 1
            24   20  23 1
            25   23  24 1
            26   23  25 2
            27   23  26 1

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