KEGG   COMPOUND: C00224Help
Entry
C00224                      Compound                               

Name
Adenylyl sulfate;
Adenosine 5'-phosphosulfate;
APS;
5'-Adenylyl sulfate
Formula
C10H14N5O10PS
Exact mass
427.0199
Mol weight
427.2844
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00230  Purine metabolism
map00261  Monobactam biosynthesis
map00920  Sulfur metabolism
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01130  Biosynthesis of antibiotics
Module
M00176  Assimilatory sulfate reduction, sulfate => H2S
M00596  Dissimilatory sulfate reduction, sulfate => H2S
Enzyme
1.8.4.9         1.8.4.10        1.8.99.2        2.7.1.25        
2.7.7.4         2.7.7.5         2.7.7.51        2.7.7.53        
3.1.3.7         3.6.2.1
Other DBs
CAS: 485-84-7
PubChem: 3524
ChEBI: 17709
ChEMBL: CHEMBL572546
KNApSAcK: C00007445
PDB-CCD: ADX[PDBj]
3DMET: B01194
NIKKAJI: J37.502K
KCF data Show

ATOM        27
            1   N4y N    26.9727  -15.8044
            2   C8y C    25.6584  -15.3894
            3   C1y C    25.8156  -17.7995
            4   C8x C    27.7774  -14.7041
            5   C8y C    25.6584  -14.0060
            6   N5x N    24.4575  -16.0874
            7   O2x O    24.7025  -17.0008
            8   C1y C    25.3944  -19.1073
            9   N5x N    26.9789  -13.5784
            10  C8y C    24.4575  -13.3207
            11  C8x C    23.2753  -15.3894
            12  C1y C    23.6022  -17.7995
            13  C1y C    24.0173  -19.1073
            14  O1a O    26.1929  -20.2078
            15  N5x N    23.2753  -14.0060
            16  N1a N    24.4575  -11.9498
            17  C1b C    22.3068  -17.3719
            18  O1a O    23.2124  -20.2078
            19  O2b O    22.0302  -16.0325
            20  P1b P    20.6530  -16.0263
            21  O2b O    19.2949  -16.0325
            22  O1c O    20.6530  -14.5917
            23  O1c O    20.6468  -17.3970
            24  S4a S    17.9179  -16.0263
            25  O1d O    17.9179  -14.5917
            26  O1d O    16.5533  -16.0263
            27  O1d O    17.9115  -17.3970
BOND        29
            1     1   2 1
            2     3   1 1 #Up
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13    8  14 1 #Down
            14   10  15 2
            15   10  16 1
            16   12  17 1 #Up
            17   13  18 1 #Down
            18   17  19 1
            19   19  20 1
            20   20  21 1
            21   20  22 1
            22   20  23 2
            23   21  24 1
            24   24  25 1
            25   24  26 2
            26   24  27 2
            27    5   9 1
            28   11  15 1
            29   12  13 1

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