KEGG   COMPOUND: C00068
Entry
C00068                      Compound                               
Name
Thiamin diphosphate;
Thiamine diphosphate;
Thiamin pyrophosphate;
TPP;
ThPP
Formula
C12H19N4O7P2S
Exact mass
425.045
Mol weight
425.3144
Structure
Reaction
R00014 R00615 R00616 R00617 R00618 R00619 R00621 R00755
R03050 R03270 R03316 R04672 R04673 R06861 R06862 R06863
R07599 R07600 R07601 R07602 R07603 R07604 R10996 R10997
R11319 R13166 R13167
Pathway
map00010  Glycolysis / Gluconeogenesis
map00020  Citrate cycle (TCA cycle)
map00280  Valine, leucine and isoleucine degradation
map00310  Lysine degradation
map00620  Pyruvate metabolism
map00640  Propanoate metabolism
map00730  Thiamine metabolism
map00785  Lipoic acid metabolism
map01100  Metabolic pathways
map01240  Biosynthesis of cofactors
map04977  Vitamin digestion and absorption
Module
M00127  Thiamine biosynthesis, prokaryotes, AIR (+ DXP/tyrosine) => TMP/TPP
M00307  Pyruvate oxidation, pyruvate => acetyl-CoA
M00895  Thiamine biosynthesis, prokaryotes, AIR (+ DXP/glycine) => TMP/TPP
M00896  Thiamine biosynthesis, archaea, AIR (+ NAD+) => TMP/TPP
M00897  Thiamine biosynthesis, plants, AIR (+ NAD+) => TMP/thiamine/TPP
M00898  Thiamine biosynthesis, pyridoxal-5P => TMP/thiamine/TPP
Enzyme
1.2.4.1         1.2.4.2         1.2.4.4         1.2.4.-         
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
Other DBs
PubChem: 3368
ChEBI: 9532
KNApSAcK: C00019627
PDB-CCD: TDP[PDBj] TPP[PDBj]
3DMET: B01146
NIKKAJI: J184.400H J232.214E
LinkDB
KCF data

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

» Japanese version

DBGET integrated database retrieval system