KEGG   COMPOUND: C20784
Entry
C20784                      Compound                               
Name
ADP-5-ethyl-4-methylthiazole-2-carboxylate;
Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid
Formula
C17H22N6O12P2S
Exact mass
596.0492
Mol weight
596.40
Structure
Reaction
R10685 R10711 R12026
Pathway
map00730  Thiamine metabolism
map01100  Metabolic pathways
map01240  Biosynthesis of cofactors
Module
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
2.4.2.59        2.4.2.60
Other DBs
PubChem: 254741251
ChEBI: 134399
PDB-CCD: AHZ[PDBj]
LinkDB
KCF data

ATOM        38
            1   C8y C    11.4772  -28.8001
            2   N5x N    11.9242  -30.1279
            3   C8y C    13.3250  -30.1133
            4   C8y C    13.7439  -28.7763
            5   S2x S    12.6020  -27.9649
            6   C1b C    14.9494  -28.0813
            7   C1b C    16.1628  -28.7816
            8   C1a C    14.1567  -31.2332
            9   C6a C    10.1327  -28.3790
            10  O6a O     9.1263  -29.3043
            11  O6a O     9.8209  -26.9863
            12  O2b O    17.3725  -28.1040
            13  P1b P    18.7698  -28.1040
            14  O2c O    20.0972  -28.1040
            15  P1b P    21.4246  -28.1040
            16  O2b O    22.7520  -28.1040
            17  O1c O    18.7698  -26.7766
            18  O1c O    21.4246  -26.7766
            19  O1c O    18.7698  -29.4314
            20  O1c O    21.4246  -29.4314
            21  C1y C    25.5466  -28.7327
            22  C1y C    25.9658  -29.9903
            23  C1y C    27.3630  -29.9903
            24  C1y C    27.7123  -28.7327
            25  O2x O    26.6644  -27.8944
            26  C1b C    24.1493  -28.1040
            27  N4y N    28.9699  -26.7067
            28  O1a O    25.1973  -31.1081
            29  O1a O    28.1315  -31.0382
            30  C8x C    29.8083  -25.5889
            31  N5x N    29.0398  -24.4711
            32  C8y C    27.7123  -24.8902
            33  C8y C    27.7123  -26.2177
            34  C8y C    26.5945  -24.1916
            35  N5x N    25.3370  -24.8902
            36  C8x C    25.3370  -26.2177
            37  N5x N    26.5247  -26.9163
            38  N1a N    26.5945  -22.8642
BOND        41
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     1   5 1
            6     4   6 1
            7     6   7 1
            8     3   8 1
            9     1   9 1
            10    9  10 1
            11    9  11 2
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   13  17 2
            17   15  18 2
            18   13  19 1
            19   15  20 1
            20   21  22 1
            21   22  23 1
            22   23  24 1
            23   24  25 1
            24   21  25 1
            25   21  26 1 #Up
            26   16  26 1
            27   24  27 1 #Up
            28   22  28 1 #Down
            29   23  29 1 #Down
            30   27  30 1
            31   30  31 2
            32   31  32 1
            33   32  33 1
            34   27  33 1
            35   32  34 2
            36   34  35 1
            37   35  36 2
            38   36  37 1
            39   33  37 2
            40   34  38 1
            41    7  12 1

» Japanese version

DBGET integrated database retrieval system