KEGG   COMPOUND: C00053Help
Entry
C00053                      Compound                               

Name
3'-Phosphoadenylyl sulfate;
3'-Phosphoadenosine 5'-phosphosulfate;
3'-Phospho-5'-adenylyl sulfate;
PAPS
Formula
C10H15N5O13P2S
Exact mass
506.9862
Mol weight
507.2643
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Purine metabolism
Glycosaminoglycan biosynthesis - chondroitin sulfate / dermatan sulfate
Glycosaminoglycan biosynthesis - heparan sulfate / heparin
Sulfur metabolism
Metabolic pathways
Microbial metabolism in diverse environments
Module
M00176  
Assimilatory sulfate reduction, sulfate => H2S
Enzyme
1.8.4.8         2.7.1.25        2.8.2.1         2.8.2.2         
2.8.2.3         2.8.2.4         2.8.2.5         2.8.2.6         
2.8.2.7         2.8.2.8         2.8.2.9         2.8.2.10        
2.8.2.11        2.8.2.13        2.8.2.14        2.8.2.15        
2.8.2.16        2.8.2.17        2.8.2.18        2.8.2.19        
2.8.2.20        2.8.2.21        2.8.2.23        2.8.2.24        
2.8.2.25        2.8.2.26        2.8.2.27        2.8.2.28        
2.8.2.29        2.8.2.30        2.8.2.31        2.8.2.32        
2.8.2.33        2.8.2.34        2.8.2.35        2.8.2.36        
2.8.2.37        2.8.2.-         3.1.3.7         3.6.2.2
Brite
Compounds with biological roles [BR:br08001]
 Vitamins and Cofactors
  Cofactors
   Coenzymes
    C00053  PAPS
BRITE hierarchy
Other DBs
CAS: 
482-67-7
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        31
            1   N4y N    36.3116  -19.6466
            2   C1y C    35.4443  -21.9346
            3   C8y C    35.0106  -19.2191
            4   C8x C    37.1100  -18.5341
            5   C1y C    35.0294  -23.2168
            6   O2x O    34.3128  -21.1174
            7   C8y C    35.0168  -17.8553
            8   N5x N    33.8099  -19.9043
            9   N5x N    36.3179  -17.4466
            10  C1y C    33.6402  -23.2168
            11  O1a O    35.8402  -24.3168
            12  C1y C    33.2066  -21.9156
            13  C8y C    33.8289  -17.1513
            14  C8x C    32.6533  -19.1564
            15  O2b O    32.8546  -24.3294
            16  C1b C    31.9054  -21.5135
            17  N5x N    32.6284  -17.8363
            18  N1a N    33.8351  -15.7873
            19  P1b P    32.8546  -25.6934
            20  O2b O    30.5352  -21.5135
            21  O1c O    32.8546  -27.0636
            22  O1c O    34.2186  -25.6934
            23  O1c O    31.4844  -25.6934
            24  P1b P    29.1712  -21.5135
            25  O2b O    27.8010  -21.5135
            26  O1c O    29.1712  -22.8773
            27  O1c O    29.1712  -20.1431
            28  S4a S    26.4370  -21.5135
            29  O1d O    26.4370  -22.8773
            30  O1d O    25.0668  -21.5135
            31  O1d O    26.4370  -20.1431
BOND        33
            1     2   1 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 1 #Down
            11    6  12 1
            12    7  13 1
            13    8  14 2
            14   10  15 1 #Down
            15   12  16 1 #Up
            16   13  17 2
            17   13  18 1
            18   15  19 1
            19   16  20 1
            20   19  21 1
            21   19  22 1
            22   19  23 2
            23   20  24 1
            24   24  25 1
            25   24  26 1
            26   24  27 2
            27   25  28 1
            28   28  29 1
            29   28  30 2
            30   28  31 2
            31    7   9 1
            32   10  12 1
            33   14  17 1

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