MiMeDB: Showing metabocard for Adenosine phosphosulfate (MMDBc0029528)

Microbial

Plant

Animal

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:31:06 UTC

Update Date

2024-04-30 19:37:13 UTC

Metabolite ID

MMDBc0029528

Metabolite Identification

Common Name

Adenosine phosphosulfate

Description

Adenosine phosphosulfate (also known as APS) is the initial compound formed by the action of ATP sulfurylase (or PAPS synthetase) on sulfate ions after sulfate uptake. PAPS synthetase 1 is a bifunctional enzyme with both ATP sulfurylase and APS kinase activity, which mediates two steps in the sulfate activation pathway. The first step is the transfer of a sulfate group to ATP to yield adenosine 5'-phosphosulfate (APS), and the second step is the transfer of a phosphate group from ATP to APS yielding 3'-phosphoadenylylsulfate (PAPS).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv1652307092018372D          

 27 29  0  0  1  0            999 V2000
 9998.7501 9998.0568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.5401 9998.0485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.0475 9999.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.7612 9999.4959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.4749 9999.9095    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10003.1989 9999.5102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.064410000.6244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.889510000.6244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.9126 9999.9217    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
10004.325110000.6368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.500110000.6368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.6263 9999.5102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6616 9999.9901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.2491 9998.7205    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.0741 9998.7205    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10000.3290 9999.5051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9996.4939 9998.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.167710000.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.962810000.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.1606 9999.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.5306 9999.5492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.592810000.5537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9995.9262 9999.1642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9997.2962 9998.7582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9997.356510000.8727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2753 9999.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9999.0002 9999.5104    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 13 16  1  0  0  0  0
 14  1  1  1  0  0  0
 15  2  1  1  0  0  0
 16  3  1  6  0  0  0
 17 24  2  0  0  0  0
 17 23  1  0  0  0  0
 18 26  1  0  0  0  0
 18 25  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 25  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  1  0  0  0  0
 21 26  1  0  0  0  0
 27 26  1  6  0  0  0
 27 14  1  0  0  0  0
 13 27  1  0  0  0  0
M  END

HMDB0001003
     RDKit          3D
Adenosine phosphosulfate
 41 43  0  0  0  0  0  0  0  0999 V2000
   -6.4148    1.3203   -0.7136 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2198    1.2368    0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9079    2.0540    1.0557 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7590    1.9388    1.7533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8504    0.9850    1.4719 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1220    0.1240    0.4493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2950    0.2403   -0.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3242   -0.7113   -1.2035 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1774   -1.4133   -1.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4446   -0.9059   -0.0682 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1661   -1.4208    0.3346 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3290   -0.4431    0.8727 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9171   -1.0881    0.7827 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0404   -0.1739    1.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0322    0.9240    0.3580 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2586    2.0279    0.7334 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.9365    2.5063   -0.5268 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5318    3.3808    1.4500 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4152    1.3685    1.7498 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7427    0.9164    0.8273 S   0  0  0  0  0  6  0  0  0  0  0  0
    6.2127    2.1100    0.0194 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8991    0.5086    1.6988 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3124   -0.2728   -0.2464 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9644   -1.4138   -0.6931 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9158   -2.3499   -1.0094 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4585   -1.9475   -0.8976 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4539   -3.3334   -0.9562 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4078    1.6928   -1.6847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3293    1.0131   -0.3250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6121    2.6686    2.5612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8904   -2.2712   -1.7002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2341   -2.2399    1.0828 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9103   -2.0449    1.3301 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9079    0.0855    2.2586 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9777   -0.7624    1.1229 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0896    4.1830    1.2719 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9671   -1.0035   -0.3162 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0652   -0.4842   -1.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6981   -1.8650   -1.4167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8700   -1.5233   -1.8252 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4712   -3.6167   -1.1988 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  2  0
 20 23  1  0
 13 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
  7  2  1  0
 26 11  1  0
 10  6  1  0
  1 28  1  0
  1 29  1  0
  4 30  1  0
  9 31  1  0
 11 32  1  1
 13 33  1  1
 14 34  1  0
 14 35  1  0
 18 36  1  0
 23 37  1  0
 24 38  1  6
 25 39  1  0
 26 40  1  6
 27 41  1  0
M  END


  Mrv1652307092018372D          

 27 29  0  0  1  0            999 V2000
 9998.7501 9998.0568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.5401 9998.0485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.0475 9999.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.7612 9999.4959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.4749 9999.9095    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10003.1989 9999.5102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.064410000.6244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.889510000.6244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.9126 9999.9217    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
10004.325110000.6368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.500110000.6368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.6263 9999.5102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6616 9999.9901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.2491 9998.7205    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.0741 9998.7205    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10000.3290 9999.5051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9996.4939 9998.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.167710000.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.962810000.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.1606 9999.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.5306 9999.5492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.592810000.5537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9995.9262 9999.1642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9997.2962 9998.7582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9997.356510000.8727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2753 9999.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9999.0002 9999.5104    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 13 16  1  0  0  0  0
 14  1  1  1  0  0  0
 15  2  1  1  0  0  0
 16  3  1  6  0  0  0
 17 24  2  0  0  0  0
 17 23  1  0  0  0  0
 18 26  1  0  0  0  0
 18 25  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 25  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  1  0  0  0  0
 21 26  1  0  0  0  0
 27 26  1  6  0  0  0
 27 14  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0029528

> <DATABASE_NAME>
MIME

> <SMILES>
NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OS(O)(=O)=O)[C@@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C10H14N5O10PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-26(18,19)25-27(20,21)22/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H,20,21,22)/t4-,6-,7-,10-/m1/s1

> <INCHI_KEY>
IRLPACMLTUPBCL-KQYNXXCUSA-N

> <FORMULA>
C10H14N5O10PS

> <MOLECULAR_WEIGHT>
427.284

> <EXACT_MASS>
427.019898895

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
35.06803193134003

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]sulfonic acid

> <ALOGPS_LOGP>
-1.64

> <JCHEM_LOGP>
-5.56531027203623

> <ALOGPS_LOGS>
-2.11

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
2.6138084060306217

> <JCHEM_PKA_STRONGEST_ACIDIC>
-2.3443566047904136

> <JCHEM_PKA_STRONGEST_BASIC>
3.9432165992164756

> <JCHEM_POLAR_SURFACE_AREA>
229.43999999999994

> <JCHEM_REFRACTIVITY>
84.06029999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.29e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
adenosine phosphosulfate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001003
     RDKit          3D
Adenosine phosphosulfate
 41 43  0  0  0  0  0  0  0  0999 V2000
   -6.4148    1.3203   -0.7136 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2198    1.2368    0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9079    2.0540    1.0557 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7590    1.9388    1.7533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8504    0.9850    1.4719 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1220    0.1240    0.4493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2950    0.2403   -0.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3242   -0.7113   -1.2035 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1774   -1.4133   -1.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4446   -0.9059   -0.0682 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1661   -1.4208    0.3346 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3290   -0.4431    0.8727 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9171   -1.0881    0.7827 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0404   -0.1739    1.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0322    0.9240    0.3580 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2586    2.0279    0.7334 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.9365    2.5063   -0.5268 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5318    3.3808    1.4500 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4152    1.3685    1.7498 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7427    0.9164    0.8273 S   0  0  0  0  0  6  0  0  0  0  0  0
    6.2127    2.1100    0.0194 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8991    0.5086    1.6988 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3124   -0.2728   -0.2464 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9644   -1.4138   -0.6931 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9158   -2.3499   -1.0094 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4585   -1.9475   -0.8976 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4539   -3.3334   -0.9562 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4078    1.6928   -1.6847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3293    1.0131   -0.3250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6121    2.6686    2.5612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8904   -2.2712   -1.7002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2341   -2.2399    1.0828 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9103   -2.0449    1.3301 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9079    0.0855    2.2586 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9777   -0.7624    1.1229 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0896    4.1830    1.2719 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9671   -1.0035   -0.3162 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0652   -0.4842   -1.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6981   -1.8650   -1.4167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8700   -1.5233   -1.8252 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4712   -3.6167   -1.1988 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  2  0
 20 23  1  0
 13 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
  7  2  1  0
 26 11  1  0
 10  6  1  0
  1 28  1  0
  1 29  1  0
  4 30  1  0
  9 31  1  0
 11 32  1  1
 13 33  1  1
 14 34  1  0
 14 35  1  0
 18 36  1  0
 23 37  1  0
 24 38  1  6
 25 39  1  0
 26 40  1  6
 27 41  1  0
M  END

HEADER    PROTEIN                                 09-JUL-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-JUL-20         0                                  
HETATM    1  O   UNK     0    8664.3348663.039   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0    8667.6758663.024   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0    8668.6228666.498   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0    8669.9548665.726   0.000  0.00  0.00           O+0
HETATM    5  P   UNK     0    8671.2868666.498   0.000  0.00  0.00           P+0
HETATM    6  O   UNK     0    8672.6388665.752   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0    8670.5208667.832   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0    8672.0608667.832   0.000  0.00  0.00           O+0
HETATM    9  S   UNK     0    8673.9708666.521   0.000  0.00  0.00           S+0
HETATM   10  O   UNK     0    8674.7408667.855   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0    8673.2008667.855   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0    8675.3028665.752   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0    8666.0358666.648   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0    8665.2658664.278   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8666.8058664.278   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8667.2818665.743   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8660.1228663.989   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8663.2468668.015   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8660.9978666.942   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8659.5008666.583   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8662.0578665.825   0.000  0.00  0.00           C+0
HETATM   22  N   UNK     0    8658.4408667.700   0.000  0.00  0.00           N+0
HETATM   23  N   UNK     0    8659.0628665.107   0.000  0.00  0.00           N+0
HETATM   24  N   UNK     0    8661.6208664.349   0.000  0.00  0.00           N+0
HETATM   25  N   UNK     0    8661.7328668.296   0.000  0.00  0.00           N+0
HETATM   26  N   UNK     0    8663.4478666.488   0.000  0.00  0.00           N+0
HETATM   27  C   UNK     0    8664.8008665.753   0.000  0.00  0.00           C+0
CONECT    1   14                                                            
CONECT    2   15                                                            
CONECT    3    4   16                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7    8                                             
CONECT    6    5    9                                                       
CONECT    7    5                                                            
CONECT    8    5                                                            
CONECT    9    6   10   11   12                                             
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    9                                                            
CONECT   13   16   27                                                       
CONECT   14   15    1   27                                                  
CONECT   15   14   16    2                                                  
CONECT   16   15   13    3                                                  
CONECT   17   24   23                                                       
CONECT   18   26   25                                                       
CONECT   19   20   21   25                                                  
CONECT   20   19   22   23                                                  
CONECT   21   19   24   26                                                  
CONECT   22   20                                                            
CONECT   23   17   20                                                       
CONECT   24   17   21                                                       
CONECT   25   18   19                                                       
CONECT   26   18   21   27                                                  
CONECT   27   26   14   13                                                  
MASTER        0    0    0    0    0    0    0    0   27    0   58    0
END

COMPND    HMDB0001003
HETATM    1  N1  UNL     1      -6.415   1.320  -0.714  1.00  0.00           N  
HETATM    2  C1  UNL     1      -5.220   1.237   0.047  1.00  0.00           C  
HETATM    3  N2  UNL     1      -4.908   2.054   1.056  1.00  0.00           N  
HETATM    4  C2  UNL     1      -3.759   1.939   1.753  1.00  0.00           C  
HETATM    5  N3  UNL     1      -2.850   0.985   1.472  1.00  0.00           N  
HETATM    6  C3  UNL     1      -3.122   0.124   0.449  1.00  0.00           C  
HETATM    7  C4  UNL     1      -4.295   0.240  -0.264  1.00  0.00           C  
HETATM    8  N4  UNL     1      -4.324  -0.711  -1.203  1.00  0.00           N  
HETATM    9  C5  UNL     1      -3.177  -1.413  -1.074  1.00  0.00           C  
HETATM   10  N5  UNL     1      -2.445  -0.906  -0.068  1.00  0.00           N  
HETATM   11  C6  UNL     1      -1.166  -1.421   0.335  1.00  0.00           C  
HETATM   12  O1  UNL     1      -0.329  -0.443   0.873  1.00  0.00           O  
HETATM   13  C7  UNL     1       0.917  -1.088   0.783  1.00  0.00           C  
HETATM   14  C8  UNL     1       2.040  -0.174   1.200  1.00  0.00           C  
HETATM   15  O2  UNL     1       2.032   0.924   0.358  1.00  0.00           O  
HETATM   16  P1  UNL     1       3.259   2.028   0.733  1.00  0.00           P  
HETATM   17  O3  UNL     1       3.936   2.506  -0.527  1.00  0.00           O  
HETATM   18  O4  UNL     1       2.532   3.381   1.450  1.00  0.00           O  
HETATM   19  O5  UNL     1       4.415   1.369   1.750  1.00  0.00           O  
HETATM   20  S1  UNL     1       5.743   0.916   0.827  1.00  0.00           S  
HETATM   21  O6  UNL     1       6.213   2.110   0.019  1.00  0.00           O  
HETATM   22  O7  UNL     1       6.899   0.509   1.699  1.00  0.00           O  
HETATM   23  O8  UNL     1       5.312  -0.273  -0.246  1.00  0.00           O  
HETATM   24  C9  UNL     1       0.964  -1.414  -0.693  1.00  0.00           C  
HETATM   25  O9  UNL     1       1.916  -2.350  -1.009  1.00  0.00           O  
HETATM   26  C10 UNL     1      -0.459  -1.948  -0.898  1.00  0.00           C  
HETATM   27  O10 UNL     1      -0.454  -3.333  -0.956  1.00  0.00           O  
HETATM   28  H1  UNL     1      -6.408   1.693  -1.685  1.00  0.00           H  
HETATM   29  H2  UNL     1      -7.329   1.013  -0.325  1.00  0.00           H  
HETATM   30  H3  UNL     1      -3.612   2.669   2.561  1.00  0.00           H  
HETATM   31  H4  UNL     1      -2.890  -2.271  -1.700  1.00  0.00           H  
HETATM   32  H5  UNL     1      -1.234  -2.240   1.083  1.00  0.00           H  
HETATM   33  H6  UNL     1       0.910  -2.045   1.330  1.00  0.00           H  
HETATM   34  H7  UNL     1       1.908   0.086   2.259  1.00  0.00           H  
HETATM   35  H8  UNL     1       2.978  -0.762   1.123  1.00  0.00           H  
HETATM   36  H9  UNL     1       3.090   4.183   1.272  1.00  0.00           H  
HETATM   37  H10 UNL     1       5.967  -1.004  -0.316  1.00  0.00           H  
HETATM   38  H11 UNL     1       1.065  -0.484  -1.311  1.00  0.00           H  
HETATM   39  H12 UNL     1       2.698  -1.865  -1.417  1.00  0.00           H  
HETATM   40  H13 UNL     1      -0.870  -1.523  -1.825  1.00  0.00           H  
HETATM   41  H14 UNL     1       0.471  -3.617  -1.199  1.00  0.00           H  
CONECT    1    2   28   29
CONECT    2    3    3    7
CONECT    3    4
CONECT    4    5    5   30
CONECT    5    6
CONECT    6    7    7   10
CONECT    7    8
CONECT    8    9    9
CONECT    9   10   31
CONECT   10   11
CONECT   11   12   26   32
CONECT   12   13
CONECT   13   14   24   33
CONECT   14   15   34   35
CONECT   15   16
CONECT   16   17   17   18   19
CONECT   18   36
CONECT   19   20
CONECT   20   21   21   22   22
CONECT   20   23
CONECT   23   37
CONECT   24   25   26   38
CONECT   25   39
CONECT   26   27   40
CONECT   27   41
END

HMDB0001003
     RDKit          3D
Adenosine phosphosulfate
 41 43  0  0  0  0  0  0  0  0999 V2000
   -6.4148    1.3203   -0.7136 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2198    1.2368    0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9079    2.0540    1.0557 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7590    1.9388    1.7533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8504    0.9850    1.4719 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1220    0.1240    0.4493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2950    0.2403   -0.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3242   -0.7113   -1.2035 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1774   -1.4133   -1.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4446   -0.9059   -0.0682 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1661   -1.4208    0.3346 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3290   -0.4431    0.8727 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9171   -1.0881    0.7827 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0404   -0.1739    1.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0322    0.9240    0.3580 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2586    2.0279    0.7334 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.9365    2.5063   -0.5268 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5318    3.3808    1.4500 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4152    1.3685    1.7498 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7427    0.9164    0.8273 S   0  0  0  0  0  6  0  0  0  0  0  0
    6.2127    2.1100    0.0194 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8991    0.5086    1.6988 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3124   -0.2728   -0.2464 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9644   -1.4138   -0.6931 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9158   -2.3499   -1.0094 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4585   -1.9475   -0.8976 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4539   -3.3334   -0.9562 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4078    1.6928   -1.6847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3293    1.0131   -0.3250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6121    2.6686    2.5612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8904   -2.2712   -1.7002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2341   -2.2399    1.0828 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9103   -2.0449    1.3301 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9079    0.0855    2.2586 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9777   -0.7624    1.1229 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0896    4.1830    1.2719 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9671   -1.0035   -0.3162 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0652   -0.4842   -1.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6981   -1.8650   -1.4167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8700   -1.5233   -1.8252 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4712   -3.6167   -1.1988 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  2  0
 20 23  1  0
 13 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
  7  2  1  0
 26 11  1  0
 10  6  1  0
  1 28  1  0
  1 29  1  0
  4 30  1  0
  9 31  1  0
 11 32  1  1
 13 33  1  1
 14 34  1  0
 14 35  1  0
 18 36  1  0
 23 37  1  0
 24 38  1  6
 25 39  1  0
 26 40  1  6
 27 41  1  0
M  END

Synonyms

Value	Source
Adenosine 5'-phosphosulfate	ChEBI
ADENOSINE-5'-phosphosulfATE	ChEBI
Adenylylsulfate	ChEBI
APS	ChEBI
5'-Adenylyl sulfate	Kegg
Adenosine 5'-phosphosulfuric acid	Generator
Adenosine 5'-phosphosulphate	Generator
Adenosine 5'-phosphosulphuric acid	Generator
ADENOSINE-5'-phosphosulfuric acid	Generator
ADENOSINE-5'-phosphosulphate	Generator
ADENOSINE-5'-phosphosulphuric acid	Generator
Adenylylsulfuric acid	Generator
Adenylylsulphate	Generator
Adenylylsulphuric acid	Generator
5'-Adenylyl sulfuric acid	Generator
5'-Adenylyl sulphate	Generator
5'-Adenylyl sulphuric acid	Generator
Adenosine phosphosulfuric acid	Generator
Adenosine phosphosulphate	Generator
Adenosine phosphosulphuric acid	Generator
Adenosine 5'-sulphatophosphate	HMDB
Adenosine sulfatophosphate	HMDB
Adenylic acid monoanhydride with sulfurate	HMDB
Adenylic acid monoanhydride with sulfuric acid	HMDB
Adenylyl sulfate	HMDB
Adenylyl sulphate	HMDB
Adenylyl-sulfate	HMDB
Adenylyl-sulphate	HMDB
AMPS	HMDB
Phosphosulfate	HMDB
Phosphosulphate	HMDB
Sulfatophosphate	HMDB
5'-Phosphosulfate, adenosine	HMDB
Adenosine 5' phosphosulfate	HMDB
Phospho adenylsulfate	HMDB
Phospho-adenylsulfate	HMDB
Phosphosulfate, adenosine	HMDB
Sulfate, adenylyl	HMDB
5’-Adenylyl sulfate	HMDB
5’-Adenylyl sulphate	HMDB
Adenosine 5'-monophosphosulfate	HMDB
Adenosine 5'-monophosphosulphate	HMDB
Adenosine 5'-sulfatophosphate	HMDB
Adenosine 5’-monophosphosulfate	HMDB
Adenosine 5’-monophosphosulphate	HMDB
Adenosine 5’-phosphosulfate	HMDB
Adenosine 5’-phosphosulphate	HMDB
Adenosine 5’-sulfatophosphate	HMDB

Molecular Formula

C₁₀H₁₄N₅O₁₀PS

Average Mass

427.284

Monoisotopic Mass

427.019898895

IUPAC Name

[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]sulfonic acid

Traditional Name

adenosine phosphosulfate

CAS Registry Number

485-84-7

SMILES

NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OS(O)(=O)=O)[C@@H](O)[C@H]1O

InChI Identifier

InChI=1S/C10H14N5O10PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-26(18,19)25-27(20,21)22/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H,20,21,22)/t4-,6-,7-,10-/m1/s1

InChI Key

IRLPACMLTUPBCL-KQYNXXCUSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Purine nucleotides

Sub Class

Purine ribonucleotides

Direct Parent

Purine ribonucleoside monophosphates

Alternative Parents

Substituents

Purine ribonucleoside monophosphate
Pentose phosphate
Pentose-5-phosphate
Glycosyl compound
N-glycosyl compound
6-aminopurine
Monosaccharide phosphate
Pentose monosaccharide
Imidazopyrimidine
Purine
Monoalkyl phosphate
Aminopyrimidine
Alkyl phosphate
Pyrimidine
Monosaccharide
Imidolactam
Phosphoric acid ester
N-substituted imidazole
Organic phosphoric acid derivative
Tetrahydrofuran
Heteroaromatic compound
Azole
Imidazole
Organic sulfuric acid or derivatives
Secondary alcohol
1,2-diol
Oxacycle
Azacycle
Organoheterocyclic compound
Organic nitrogen compound
Organic oxide
Organonitrogen compound
Organopnictogen compound
Organic oxygen compound
Organooxygen compound
Hydrocarbon derivative
Amine
Alcohol
Primary amine
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

adenosine 5'-phosphate (CHEBI:17709 )
acyl sulfate (CHEBI:17709 )
acyl monophosphate (CHEBI:17709 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	3.29 g/L	ALOGPS
logP	-1.6	ALOGPS
logP	-5.6	ChemAxon
logS	-2.1	ALOGPS
pKa (Strongest Acidic)	-2.3	ChemAxon
pKa (Strongest Basic)	3.94	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	229.44 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	84.06 m³·mol⁻¹	ChemAxon
Polarizability	35.07 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-004i-2911100000-c7b3ba6ec47b4fb3e832	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive	splash10-055b-7693530000-45cc4add4821e6fea5ef	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-000i-0912300000-29cd6f42fa9d4c6c4455	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-000i-0901000000-018ae7ee1fc1b662ec07	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-000i-1900000000-861a01467a0191dcd31a	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0059-0901600000-785b903b29133cefd0bc	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-003r-3900000000-d2245ba9a6f6bf6d0217	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-056r-9700000000-3f4588ade18801775bec	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-004i-0200900000-b10f97ec4ef8bff7823c	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-000i-0911000000-4563fb5a2cb7fd85ab98	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-000i-0900000000-5a937b62fdf69d198700	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-004i-0100900000-a398ce6fc250a971f068	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-056r-6900300000-d9d41d4bc70263df8221	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004j-9200000000-979bc3001281c5d76962	2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)		2012-12-05	View Spectrum

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (eluted)	2025-10-23	554.3
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	387.5
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-23	57.2
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	287.0
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	337.8
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	224.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	833.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	823.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	899.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	133.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	409.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	154.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	43.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	427.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	635.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	66.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	184.5
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	673.7
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	569.1

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Adenosine phosphosulfate_TMS_1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OS(=O)(=O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-23	2896.01
Gas Chromatography	Adenosine phosphosulfate_TMS_2	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OS(=O)(=O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	standard non polar	2025-10-23	2237.28
Gas Chromatography	Adenosine phosphosulfate_TMS_3	C[Si](C)(C)OS(=O)(=O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	standard non polar	2025-10-23	2862.15
Gas Chromatography	Adenosine phosphosulfate_TMS_4	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OS(=O)(=O)O	standard non polar	2025-10-23	1728.28
Gas Chromatography	Adenosine phosphosulfate_TMS_5	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	1723.27
Gas Chromatography	Adenosine phosphosulfate_TMS_6	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OS(=O)(=O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	782.023
Gas Chromatography	Adenosine phosphosulfate_TMS_7	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-23	2083.56
Gas Chromatography	Adenosine phosphosulfate_TMS_8	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-23	847.851
Gas Chromatography	Adenosine phosphosulfate_TMS_9	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	2187.2
Gas Chromatography	Adenosine phosphosulfate_TMS_10	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	standard non polar	2025-10-23	1876.39
Gas Chromatography	Adenosine phosphosulfate_TMS_11	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	standard non polar	2025-10-23	2265.07
Gas Chromatography	Adenosine phosphosulfate_TMS_12	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1753.75
Gas Chromatography	Adenosine phosphosulfate_TMS_13	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OS(=O)(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2499.44
Gas Chromatography	Adenosine phosphosulfate_TMS_14	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	2549.87
Gas Chromatography	Adenosine phosphosulfate_TMS_15	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	2510.98
Gas Chromatography	Adenosine phosphosulfate_TMS_16	C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](O)[C@H]1O)[Si](C)(C)C	standard non polar	2025-10-23	1995.2
Gas Chromatography	Adenosine phosphosulfate_TMS_17	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1477.35
Gas Chromatography	Adenosine phosphosulfate_TMS_18	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1495.93
Gas Chromatography	Adenosine phosphosulfate_TMS_19	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2665.73
Gas Chromatography	Adenosine phosphosulfate_TMS_20	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-23	1620.84
Gas Chromatography	Adenosine phosphosulfate_TMS_21	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	2082.73
Gas Chromatography	Adenosine phosphosulfate_TMS_22	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	2655.91
Gas Chromatography	Adenosine phosphosulfate_TMS_23	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OS(=O)(=O)O)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O	standard non polar	2025-10-23	1768.13
Gas Chromatography	Adenosine phosphosulfate_TMS_24	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	standard non polar	2025-10-23	1748.79
Gas Chromatography	Adenosine phosphosulfate_TMS_25	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1728.76
Gas Chromatography	Adenosine phosphosulfate_TMS_26	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2075.55
Gas Chromatography	Adenosine phosphosulfate_TMS_27	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OS(=O)(=O)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	standard non polar	2025-10-23	2956.89
Gas Chromatography	Adenosine phosphosulfate_TMS_28	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	1718.37
Gas Chromatography	Adenosine phosphosulfate_TMS_29	C[Si](C)(C)OS(=O)(=O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	standard non polar	2025-10-23	1481.96
Gas Chromatography	Adenosine phosphosulfate_TMS_30	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)OS(=O)(=O)O	standard non polar	2025-10-23	2868.91
Gas Chromatography	Adenosine phosphosulfate_TMS_31	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2163.64
Gas Chromatography	Adenosine phosphosulfate_TMS_32	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2049.65
Gas Chromatography	Adenosine phosphosulfate_TMS_33	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2161.65
Gas Chromatography	Adenosine phosphosulfate_TMS_34	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OS(=O)(=O)O)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2453.13
Gas Chromatography	Adenosine phosphosulfate_TMS_35	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	990.16
Gas Chromatography	Adenosine phosphosulfate_TMS_36	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O	standard non polar	2025-10-23	2107.32
Gas Chromatography	Adenosine phosphosulfate_TMS_37	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O	standard non polar	2025-10-23	293.025
Gas Chromatography	Adenosine phosphosulfate_TMS_38	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1345.9
Gas Chromatography	Adenosine phosphosulfate_TMS_39	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	standard non polar	2025-10-23	1163.6
Gas Chromatography	Adenosine phosphosulfate_TMS_40	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	standard non polar	2025-10-23	2462.99
Gas Chromatography	Adenosine phosphosulfate_TMS_41	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)OS(=O)(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1829.14
Gas Chromatography	Adenosine phosphosulfate_TMS_42	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2561.17
Gas Chromatography	Adenosine phosphosulfate_TMS_43	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2001.99
Gas Chromatography	Adenosine phosphosulfate_TMS_44	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2079.73
Gas Chromatography	Adenosine phosphosulfate_TMS_45	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O	standard non polar	2025-10-23	670.283
Gas Chromatography	Adenosine phosphosulfate_TMS_46	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	standard non polar	2025-10-23	1021.72
Gas Chromatography	Adenosine phosphosulfate_TMS_47	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1388.27
Gas Chromatography	Adenosine phosphosulfate_TMS_1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OS(=O)(=O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-23	1543.01
Gas Chromatography	Adenosine phosphosulfate_TMS_2	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OS(=O)(=O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	standard polar	2025-10-23	2172.54
Gas Chromatography	Adenosine phosphosulfate_TMS_3	C[Si](C)(C)OS(=O)(=O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	standard polar	2025-10-23	1462.81
Gas Chromatography	Adenosine phosphosulfate_TMS_4	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OS(=O)(=O)O	standard polar	2025-10-23	1347.99
Gas Chromatography	Adenosine phosphosulfate_TMS_5	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](O)[C@H]1O	standard polar	2025-10-23	3187.73
Gas Chromatography	Adenosine phosphosulfate_TMS_6	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OS(=O)(=O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1876.55
Gas Chromatography	Adenosine phosphosulfate_TMS_7	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-23	1786.21
Gas Chromatography	Adenosine phosphosulfate_TMS_8	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-23	3013.8
Gas Chromatography	Adenosine phosphosulfate_TMS_9	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	2044.14
Gas Chromatography	Adenosine phosphosulfate_TMS_10	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	standard polar	2025-10-23	1490.87
Gas Chromatography	Adenosine phosphosulfate_TMS_11	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	standard polar	2025-10-23	1760.65
Gas Chromatography	Adenosine phosphosulfate_TMS_12	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	1838.1
Gas Chromatography	Adenosine phosphosulfate_TMS_13	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OS(=O)(=O)O[Si](C)(C)C	standard polar	2025-10-23	1664.3
Gas Chromatography	Adenosine phosphosulfate_TMS_14	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	2538.94
Gas Chromatography	Adenosine phosphosulfate_TMS_15	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)[C@@H](O)[C@H]1O	standard polar	2025-10-23	1940.77
Gas Chromatography	Adenosine phosphosulfate_TMS_16	C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](O)[C@H]1O)[Si](C)(C)C	standard polar	2025-10-23	1597.3
Gas Chromatography	Adenosine phosphosulfate_TMS_17	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1983.85
Gas Chromatography	Adenosine phosphosulfate_TMS_18	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2137.19
Gas Chromatography	Adenosine phosphosulfate_TMS_19	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	1401.64
Gas Chromatography	Adenosine phosphosulfate_TMS_20	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-23	1587.55
Gas Chromatography	Adenosine phosphosulfate_TMS_21	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	1318.64
Gas Chromatography	Adenosine phosphosulfate_TMS_22	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	1677.8
Gas Chromatography	Adenosine phosphosulfate_TMS_23	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OS(=O)(=O)O)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O	standard polar	2025-10-23	2922.99
Gas Chromatography	Adenosine phosphosulfate_TMS_24	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	standard polar	2025-10-23	2415.44
Gas Chromatography	Adenosine phosphosulfate_TMS_25	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2629.73
Gas Chromatography	Adenosine phosphosulfate_TMS_26	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	998.242
Gas Chromatography	Adenosine phosphosulfate_TMS_27	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OS(=O)(=O)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	standard polar	2025-10-23	2052.4
Gas Chromatography	Adenosine phosphosulfate_TMS_28	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	2725.89
Gas Chromatography	Adenosine phosphosulfate_TMS_29	C[Si](C)(C)OS(=O)(=O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	standard polar	2025-10-23	2211.53
Gas Chromatography	Adenosine phosphosulfate_TMS_30	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)OS(=O)(=O)O	standard polar	2025-10-23	1703.38
Gas Chromatography	Adenosine phosphosulfate_TMS_31	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1366.73
Gas Chromatography	Adenosine phosphosulfate_TMS_32	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	1639.0
Gas Chromatography	Adenosine phosphosulfate_TMS_33	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2523.49
Gas Chromatography	Adenosine phosphosulfate_TMS_34	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OS(=O)(=O)O)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2026.85
Gas Chromatography	Adenosine phosphosulfate_TMS_35	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	1868.46
Gas Chromatography	Adenosine phosphosulfate_TMS_36	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O	standard polar	2025-10-23	2265.82
Gas Chromatography	Adenosine phosphosulfate_TMS_37	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O	standard polar	2025-10-23	2872.14
Gas Chromatography	Adenosine phosphosulfate_TMS_38	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	1743.52
Gas Chromatography	Adenosine phosphosulfate_TMS_39	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	standard polar	2025-10-23	2927.74
Gas Chromatography	Adenosine phosphosulfate_TMS_40	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	standard polar	2025-10-23	2715.58
Gas Chromatography	Adenosine phosphosulfate_TMS_41	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)OS(=O)(=O)O[Si](C)(C)C	standard polar	2025-10-23	2216.11
Gas Chromatography	Adenosine phosphosulfate_TMS_42	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2868.96
Gas Chromatography	Adenosine phosphosulfate_TMS_43	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2125.17
Gas Chromatography	Adenosine phosphosulfate_TMS_44	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1644.51
Gas Chromatography	Adenosine phosphosulfate_TMS_45	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O	standard polar	2025-10-23	2411.47
Gas Chromatography	Adenosine phosphosulfate_TMS_46	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	standard polar	2025-10-23	2080.82
Gas Chromatography	Adenosine phosphosulfate_TMS_47	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1797.71

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Feces
Fibroblasts
Pancreas
Platelet
Prostate

Tissue Locations

Fibroblasts
Pancreas
Platelet
Prostate

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0192011	3'(2'),5'-bisphosphate nucleotidase 1	Unknown	O95861	Homo sapiens
MMDBp0192013	Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1	Enzyme	O43252	Homo sapiens
MMDBp0192021	Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2	Enzyme	O95340	Homo sapiens
MMDBp0193884	Adenosine 3'-phospho 5'-phosphosulfate transporter 1	Enzyme	Q8TB61	Homo sapiens
MMDBp0195499	Inositol monophosphatase 3	Unknown	Q9NX62	Homo sapiens
MMDBp0196349	Adenosine 3'-phospho 5'-phosphosulfate transporter 2	Unknown	Q9H1N7	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

This table shows at most 5 pathways. For the full list of associated pathways:

See All Associated Bacterial Pathways

Name	SMPDB/PathBank	Species
Cysteine Biosynthesis		Escherichia coli Pseudomonas aeruginosa Escherichia coli SMS-3-5 Escherichia coli UTI89 Escherichia coli 55989 Escherichia coli SE11 Mycobacterium marinum M Pseudomonas aeruginosa PA7 Acinetobacter sp. ADP1 Actinobacillus succinogenes 130Z Escherichia coli CFT073 Myxococcus xanthus DK 1622 Ochrobactrum anthropi Bacillus subtilis Pseudomonas stutzeri Klebsiella pneumoniae Bacillus cereus Pseudomonas fluorescens Pf-5 Streptomyces griseus subsp. griseus NBRC 13350 Mycobacterium tuberculosis CDC1551 Bacillus amyloliquefaciens Salmonella enterica Clostridium perfringens Rhodospirillum rubrum ATCC 11170 Aromatoleum aromaticum EbN1 Saccharopolyspora erythraea NRRL 2338 Streptomyces avermitilis MA-4680 Shewanella denitrificans OS217 Acidaminococcus fermentans DSM 20731 Acinetobacter baumannii Anaerostipes caccae Arcobacter butzleri RM4018 Bacillus cereus AH187 (F4810/72) Bacillus halodurans C-125 Alkalihalobacillus pseudofirmus OF4 Bacillus timonensis 10403023 Brevibacillus brevis NBRC 100599 Clostridium beijerinckii NCIMB 8052 Clostridium perfringens ATCC 13124 Methylobacterium nodulans Ochrobactrum anthropi ATCC 49188 Ochrobactrum intermedium LMG 3301 Streptococcus salivarius Pelobacter carbinolicus Comamonas testosteroni Burkholderia cepacia Pseudomonas fluorescens Pseudomonas mendocina Pseudomonas putida Pseudomonas syringae Xanthomonas campestris Bradyrhizobium japonicum Mesorhizobium loti Sinorhizobium meliloti Methylococcus capsulatus Moraxella catarrhalis Neisseria gonorrhoeae Neisseria mucosa Acidiphilium cryptum Chromobacterium violaceum Citrobacter koseri Proteus mirabilis Shigella boydii Shigella dysenteriae Shigella flexneri Shigella sonnei Aeromonas hydrophila Vibrio cholerae Vibrio vulnificus Acidithiobacillus ferrooxidans Rhodopseudomonas palustris Streptococcus uberis Priestia megaterium Bacillus mycoides Bacillus pumilus Bacillus thuringiensis Clostridium kluyveri Cellulomonas flavigena Corynebacterium glutamicum Mycobacterium avium Roseobacter denitrificans Neisseria subflava Actinosynnema mirum Burkholderia vietnamiensis Sodalis glossinidius Enterobacter cancerogenus Bacillus clausii Bacillus pseudofirmus Achromobacter xylosoxidans Burkholderia multivorans Burkholderia cenocepacia Methylibium petroleiphilum Citrobacter youngae Burkholderia ambifaria Ilyobacter polytropus Alicycliphilus denitrificans Shewanella denitrificans Methylocella silvestris Escherichia albertii Agrobacterium tumefaciens Clostridium beijerinckii Haemophilus parainfluenzae Klebsiella variicola Streptococcus suis Streptococcus thermophiles Achromobacter xylosoxidans A8 Acinetobacter baumannii SDF Acinetobacter baumannii ACICU Acinetobacter baumannii AB0057 Acinetobacter baumannii AB307-0294 Actinobacillus pleuropneumoniae serovar 5b str. L20 Actinobacillus pleuropneumoniae serovar 3 str. JL03 Actinobacillus pleuropneumoniae serovar 7 str. AP76 Aeromonas hydrophila subsp. hydrophila ATCC 7966 Agrobacterium tumefaciens str. C58 Bacillus cereus ATCC 10987 Bacillus megaterium QM B1551 Bacillus thuringiensis serovar konkukian str. 97-27 Bacillus clausii KSM-K16 Bacillus amyloliquefaciens FZB42 Bacillus pumilus SAFR-032 Bacillus cereus B4264 Bacillus cereus AH820 Bacillus cereus G9842 Bacillus cereus Q1 Priestia megaterium DSM 319 Bacillus subtilis subsp. spizizenii str. W23 Bacillus amyloliquefaciens DSM 7 Bradyrhizobium japonicum USDA 110 Citrobacter koseri ATCC BAA-895 Clostridium perfringens str. 13 Clostridium sp. SY8519 Clostridium perfringens SM101 Corynebacterium aurimucosum ATCC 700975 Corynebacterium kroppenstedtii DSM 44385 Cronobacter sakazakii ATCC BAA-894 Delftia acidovorans SPH-1 Enterobacter cloacae subsp. cloacae ATCC 13047 Escherichia coli APEC O1 Escherichia coli E24377A Escherichia coli O127:H6 str. E2348/69 Escherichia coli UMN026 Escherichia fergusonii ATCC 35469 Escherichia coli ED1a Escherichia coli IAI39 Klebsiella pneumoniae subsp. pneumoniae MGH 78578 Kocuria rhizophila DC2201 Laribacter hongkongensis HLHK9 Mesorhizobium loti MAFF303099 Methylobacterium radiotolerans JCM 2831 Methylobacterium populi BJ001 Micrococcus luteus NCTC 2665 Mycobacterium avium subsp. paratuberculosis K-10 Mycobacterium avium 104 Neisseria meningitidis MC58 Neisseria meningitidis Z2491 Neisseria meningitidis FAM18 Neisseria gonorrhoeae NCCP11945 Escherichia coli 042 Acinetobacter calcoaceticus PHEA-2 Edwardsiella tarda FL6-60 Proteus mirabilis HI4320 Pseudomonas putida KT2440 Pseudomonas fluorescens Pf0-1 Pseudomonas stutzeri A1501 Pseudomonas fluorescens SBW25 Pseudomonas putida GB-1 Rhizobium leguminosarum bv. viciae 3841 Rhizobium leguminosarum bv. trifolii WSM2304 Rhodococcus erythropolis PR4 Salmonella enterica subsp. enterica serovar Typhimurium str. LT2 Salmonella enterica subsp. enterica serovar Newport str. SL254 Salmonella enterica subsp. enterica serovar Heidelberg str. SL476 Salmonella enterica subsp. enterica serovar Agona str. SL483 Salmonella enterica subsp. enterica serovar Dublin str. CT02021853 Shigella sonnei Ss046 Shigella dysenteriae Sd197 Shigella flexneri 5 str. 8401 Spirosoma linguale DSM 74 Streptococcus uberis 0140J Vibrio parahaemolyticus RIMD 2210633 Yersinia enterocolitica subsp. enterocolitica 8081 Yersinia pseudotuberculosis IP 31758 Spirosoma linguale Beijerinckia indica Bradyrhizobium elkanii Methylobacterium mesophilicum Methylobacterium mesophilicum SR1.6/6 Rhizobium etli Azorhizobium caulinodans Xanthobacter autotrophicus Alcaligenes faecalis Burkholderia cepacia GG4 Lautropia mirabilis Lautropia mirabilis ATCC 51599 Laribacter hongkongensis Neisseria elongata Neisseria elongata subsp. glycolytica ATCC 29315 Neisseria macacae Neisseria macacae ATCC 33926 Neisseria meningitidis Neisseria mucosa ATCC 25996 Neisseria subflava NJ9703 Arcobacter butzleri Aeromonas caviae Aeromonas media Aeromonas veronii Allochromatium vinosum Cedecea davisae Cedecea davisae DSM 4568 Citrobacter amalonaticus Citrobacter amalonaticus Y19 Citrobacter freundii Citrobacter youngae ATCC 29220 Enterobacter hormaechei Escherichia albertii TW07627 Klebsiella aerogenes Salmonella Salmonella enterica subsp. enterica serovar Typhimurium Trabulsiella guamensis Trabulsiella guamensis ATCC 49490 Tatumella ptyseos Tatumella ptyseos ATCC 33301 Edwardsiella tarda Edwardsiella tarda ATCC 23685 Hafnia alvei Hafnia alvei ATCC 51873 Morganella morganii Morganella morganii subsp. morganii KT Providencia rustigianii DSM 4541 Providencia stuartii ATCC 25827 Serratia marcescens subsp. marcescens Db11 Yersinia enterocolitica Yersinia pestis Yersinia pseudotuberculosis Plesiomonas shigelloides 302-73 Actinobacillus pleuropneumoniae Acinetobacter pittii Acinetobacter haemolyticus Acinetobacter johnsonii Acinetobacter johnsonii SH046 Acinetobacter junii SH205 Grimontia hollisae CIP 101886 Vibrio fluvialis Vibrio fluvialis PG41 Vibrio parahaemolyticus Vibrio mimicus Leptospira interrogans Corynebacterium amycolatum Corynebacterium aurimucosum Corynebacterium durum Corynebacterium durum F0235 Corynebacterium tuberculostearicum Corynebacterium tuberculostearicum SK141 Gordonia terrae C-6 Rhodococcus erythropolis Brevibacterium casei Brevibacterium casei S18 Brevibacterium linens Kocuria palustris PEL Cellulosimicrobium cellulans Streptomyces avermitilis Thermomonospora curvata Bacillus altitudinis Bacillus firmus DS1 Aneurinibacillus aneurinilyticus Aneurinibacillus aneurinilyticus ATCC 12856 Streptococcus vestibularis F0396 Anaerostipes caccae DSM 14662 Halococcus morrhuae DSM 1307 Halococcus morrhuae Streptomyces coelicolor A3(2) Bordetella pertussis Tohama I Bordetella parapertussis 12822 Ralstonia eutropha H16 Xanthomonas campestris pv. campestris str. ATCC 33913 Xanthomonas campestris pv. campestris str. B100 Xanthomonas campestris pv. campestris str. 8004 Vibrio cholerae M66-2 Vibrio cholerae O1 biovar El Tor str. N16961 Corynebacterium glutamicum ATCC 13032 Shewanella frigidimarina NCIMB 400 Streptococcus suis GZ1 Alkaliphilus metalliredigens QYMF Amycolatopsis mediterranei U32 Anoxybacillus flavithermus WK1 Arthrobacter sp. FB24 Arthrobacter aurescens TC1 Arthrobacter chlorophenolicus A6 Catenulispora acidiphila DSM 44928 Cellulomonas flavigena DSM 20109 Clostridium kluyveri DSM 555 Clostridium kluyveri NBRC 12016 Corynebacterium jeikeium K411 Corynebacterium glutamicum R Corynebacterium urealyticum DSM 7109 Corynebacterium resistens DSM 45100 Frankia alni ACN14a Frankia sp. EuI1c Geobacillus kaustophilus HTA426 Geobacillus thermodenitrificans NG80-2 Gordonia bronchialis DSM 43247 Intrasporangium calvum DSM 43043 Kineococcus radiotolerans SRS30216 Kribbella flavida DSM 17836 Mycobacterium bovis AF2122/97 Mycobacterium ulcerans Agy99 Mycobacterium vanbaalenii PYR-1 Mycobacterium bovis BCG str. Pasteur 1173P2 Mycobacterium tuberculosis H37Ra Mycobacterium abscessus ATCC 19977 Mycobacterium sp. Spyr1 Mycobacterium sp. JDM601 Mycobacterium canettii CIPT 140010059 Nakamurella multipartita DSM 44233 Natranaerobius thermophilus JW/NM-WN-LF Nocardia farcinica IFM 10152 Nocardioides sp. JS614 Oceanobacillus iheyensis HTE831 Pseudonocardia dioxanivorans CB1190 Renibacterium salmoninarum ATCC 33209 Rhodococcus opacus B4 Rhodococcus jostii RHA1 Rhodococcus equi 103S Rubrobacter xylanophilus DSM 9941 Salinispora tropica CNB-440 Stackebrandtia nassauensis DSM 44728 Streptococcus suis BM407 Streptomyces scabiei 87.22 Streptosporangium roseum DSM 43021 Thermobispora bispora DSM 43833 Thermomonospora curvata DSM 43183 Tsukamurella paurometabola DSM 20162 Xylanimonas cellulosilytica DSM 15894 Aspergillus nomiae NRRL 13137 Aspergillus novofumigatus Aspergillus novofumigatus IBT 16806 Aspergillus parasiticus SU-1 Aspergillus phoenicis Aspergillus ruber Aspergillus sclerotioniger Aspergillus glaucus Aspergillus aculeatus ATCC 16872 Aspergillus leporis Aspergillus niger ATCC 1015 Aspergillus oryzae RIB40 Aspergillus terreus NIH2624 Aspergillus wentii Aspergillus clavatus NRRL 1 Aspergillus fischeri NRRL 181 Aspergillus fumigatus A1163 Aspergillus fumigatus Af293 Aspergillus calidoustus Aspergillus taichungensis Aspergillus tamarii Aspergillus thermomutatus Aspergillus tubingensis Aspergillus violaceofuscus Aspergillus viridinutans Penicillium brasilianum Penicillium brevicompactum Penicillium canescens Penicillium chermesinum Penicillium citrinum Penicillium concentricum Penicillium daleae Penicillium decumbens Penicillium griseofulvum Penicillium hordei Penicillium italicum Penicillium nalgiovense Penicillium oxalicum Penicillium polonicum Penicillium roqueforti FM164 Penicillium solitum Penicillium steckii Penicillium thymicola Penicillium vulpinum Verticillium alfalfae VaMs.102 Trichoderma arundinaceum Trichoderma asperellum Trichoderma atroviride IMI 206040 Trichoderma citrinoviride Trichoderma harzianum Trichoderma longibrachiatum Trichoderma parareesei Trichoderma reesei QM6a Trichoderma virens Trichoderma virens Gv29-8 Fusarium acutatum Fusarium fujikuroi IMI 58289 Fusarium mangiferae Fusarium nygamai Fusarium proliferatum ET1 Fusarium subglutinans Fusarium verticillioides 7600 Fusarium heterosporum Fusarium equiseti Fusarium oxysporum Fo5176 Fusarium oxysporum f. sp. lycopersici 4287 Fusarium austroamericanum Fusarium graminearum PH-1 Fusarium poae Fusarium pseudograminearum CS3096 Fusarium sporotrichioides Fusarium vanettenii Fusarium vanettenii 77-13-4 Fusarium tricinctum Paraburkholderia graminis C4D1M Mycolicibacterium fortuitum subsp. fortuitum DSM 46621 = ATCC 6841 Rhodococcus hoagii ATCC 33707 Acidipropionibacterium acidipropionici ATCC 4875 Klebsiella aerogenes KCTC 2190 Acidiphilium cryptum JF-5 Acidiphilium multivorum AIU301 Acidithiobacillus ferrooxidans ATCC 23270 Acidobacterium capsulatum ATCC 51196 Acidovorax citrulli AAC00-1 Acidovorax sp. JS42 Acidovorax ebreus TPSY Aeromonas salmonicida subsp. salmonicida A449 Agrobacterium vitis S4 Agrobacterium radiobacter K84 Rhodoferax ferrireducens T118 Alcanivorax borkumensis SK2 Alicycliphilus denitrificans K601 Vibrio fischeri MJ11 Aliivibrio salmonicida LFI1238 Alkalilimnicola ehrlichii MLHE-1 Anaeromyxobacter dehalogenans 2CP-C Anaeromyxobacter sp. Fw109-5 Anaeromyxobacter sp. K Anaeromyxobacter dehalogenans 2CP-1 Arcobacter nitrofigilis DSM 7299 Azorhizobium caulinodans ORS 571 Azotobacter vinelandii DJ Mannheimia succiniciproducens MBEL55E Beijerinckia indica subsp. indica ATCC 9039 Bordetella petrii DSM 12804 Bradyrhizobium sp. ORS278 Bradyrhizobium sp. BTAi1 Brucella melitensis bv. 1 str. 16M Brucella abortus bv. 1 str. 9-941 Brucella ovis ATCC 25840 Brucella canis ATCC 23365 Brucella suis ATCC 23445 Brucella abortus S19 Brucella melitensis ATCC 23457 Brucella microti CCM 4915 Burkholderia mallei ATCC 23344 Burkholderia pseudomallei 1710b Burkholderia sp. 383 Burkholderia xenovorans LB400 Burkholderia ambifaria AMMD Burkholderia mallei NCTC 10229 Burkholderia pseudomallei 1106a Burkholderia vietnamiensis G4 Burkholderia cenocepacia MC0-3 Burkholderia ambifaria MC40-6 Burkholderia phymatum STM815 Burkholderia phytofirmans PsJN Burkholderia cenocepacia J2315 Burkholderia rhizoxinica HKI 454 Candidatus Koribacter versatilis Ellin345 Caulobacter crescentus CB15 Caulobacter crescentus NA1000 Caulobacter segnis ATCC 21756 Cellulophaga algicola DSM 14237 Cellvibrio japonicus Ueda107 Cellvibrio gilvus ATCC 13127 Chromohalobacter salexigens DSM 3043 Citrobacter rodentium ICC168 Colwellia psychrerythraea 34H Cronobacter turicensis z3032 Cupriavidus metallidurans CH34 Cupriavidus taiwanensis LMG 19424 Cupriavidus necator N-1 Dickeya dadantii Ech703 Dickeya zeae Ech1591 Dickeya dadantii Ech586 Dickeya dadantii 3937 Dinoroseobacter shibae DFL 12 Edwardsiella ictaluri 93-146 Enterobacter sp. 638 Enterobacter cloacae SCF1 Erwinia tasmaniensis Et1/99 Erwinia amylovora CFBP1430 Erwinia billingiae Eb661 Erythrobacter litoralis HTCC2594 Ferrimonas balearica DSM 9799 Gloeobacter violaceus PCC 7421 Gramella forsetii KT0803 Granulibacter bethesdensis CGDNIH1 Hahella chejuensis KCTC 2396 Haliangium ochraceum DSM 14365 Halorhabdus utahensis DSM 12940 Halorhodospira halophila SL1 Haloterrigena turkmenica DSM 5511 Herminiimonas arsenicoxydans Herpetosiphon aurantiacus DSM 785 Hyphomonas neptunium ATCC 15444 Idiomarina loihiensis L2TR Ilyobacter polytropus DSM 2926 Jannaschia sp. CCS1 Janthinobacterium sp. Marseille Klebsiella pneumoniae 342 Leptospira borgpetersenii serovar Hardjo-bovis JB197 Leptothrix cholodnii SP-6 Magnetospirillum magneticum AMB-1 Maricaulis maris MCS10 Marinobacter aquaeolei VT8 Marinomonas mediterranea MMB-1 Marinomonas posidonica IVIA-Po-181 Methylibium petroleiphilum PM1 Methylobacillus flagellatus KT Methylobacterium chloromethanicum CM4 Methylobacterium nodulans ORS 2060 Methylobacterium extorquens AM1 Methylobacterium extorquens DM4 Methylocella silvestris BL2 Natrialba magadii ATCC 43099 Neisseria meningitidis alpha14 Neisseria lactamica 020-06 Nitrobacter winogradskyi Nb-255 Nitrobacter hamburgensis X14 Nitrosococcus oceani ATCC 19707 Nitrosococcus halophilus Nc4 Nitrosomonas eutropha C91 Novosphingobium aromaticivorans DSM 12444 Bordetella bronchiseptica RB50 Leptospira interrogans serovar Lai str. 56601 Nitrosomonas europaea ATCC 19718 Chromobacterium violaceum ATCC 12472 Leptospira interrogans serovar Copenhageni str. Fiocruz L1-130 Sodalis glossinidius str. 'morsitans' Sorangium cellulosum 'So ce 56' Leptospira biflexa serovar Patoc strain 'Patoc 1 (Paris)' Alteromonas macleodii str. 'Deep ecotype' Rhodobacter capsulatus SB1003 Pantoea ananatis LMG 20103 Paracoccus denitrificans PD1222 Parvibaculum lavamentivorans DS-1 Pectobacterium atrosepticum SCRI1043 Pectobacterium carotovorum subsp. carotovorum PC1 Pelobacter carbinolicus DSM 2380 Phenylobacterium zucineum HLK1 Photobacterium profundum SS9 Photorhabdus luminescens subsp. laumondii TTO1 Photorhabdus asymbiotica subsp. asymbiotica ATCC 43949 Pirellula staleyi DSM 6068 Polaromonas sp. JS666 Polaromonas naphthalenivorans CJ2 Polynucleobacter necessarius subsp. asymbioticus QLW-P1DMWA-1 Pseudoalteromonas haloplanktis TAC125 Pseudomonas syringae pv. tomato str. DC3000 Pseudomonas syringae pv. phaseolicola 1448A Pseudomonas syringae pv. syringae B728a Pseudomonas entomophila L48 Pseudomonas fulva 12-X Psychrobacter arcticus 273-4 Psychrobacter cryohalolentis K5 Psychromonas ingrahamii 37 Ralstonia solanacearum GMI1000 Rhizobium etli CFN 42 Rhizobium etli CIAT 652 Rhizobium leguminosarum bv. trifolii WSM1325 Rhodopirellula baltica SH 1 Rhodopseudomonas palustris CGA009 Rhodopseudomonas palustris HaA2 Rhodopseudomonas palustris BisB5 Rhodospirillum centenum SW Roseobacter denitrificans OCh 114 Roseobacter litoralis Och 149 Ruegeria pomeroyi DSS-3 Ruegeria sp. TM1040 Saccharophagus degradans 2-40 Salmonella enterica subsp. enterica serovar Paratyphi A str. Segniliparus rotundus DSM 44985 Shewanella oneidensis MR-1 Shewanella sp. ANA-3 Shewanella amazonensis SB2B Shewanella sp. W3-18-1 Shewanella baltica OS155 Shewanella loihica PV-4 Shewanella sediminis HAW-EB3 Shewanella pealeana ATCC 700345 Shewanella baltica OS195 Shewanella halifaxensis HAW-EB4 Shewanella woodyi ATCC 51908 Shewanella piezotolerans WP3 Shewanella violacea DSS12 Shigella flexneri 2a str. 301 Shigella boydii Sb227 Shigella boydii CDC 3083-94 Sinorhizobium meliloti 1021 Sinorhizobium medicae WSM419 Sphingobium japonicum UT26S Sphingomonas wittichii RW1 Sphingopyxis alaskensis RB2256 Spirochaeta thermophila DSM 6192 Teredinibacter turnerae T7901 Tolumonas auensis DSM 9187 Variovorax paradoxus EPS Verminephrobacter eiseniae EF01-2 Vibrio vulnificus CMCP6 Vibrio vulnificus YJ016 Vibrio splendidus LGP32 Xanthobacter autotrophicus Py2 Xanthomonas campestris pv. vesicatoria str. 85-10 Xenorhabdus bovienii SS-2004 Xenorhabdus nematophila ATCC 19061 Zymomonas mobilis subsp. pomaceae ATCC 29192 Neisseria meningitidis serogroup C Atlantibacter hermannii NBRC 105704 Klebsiella michiganensis KCTC 1686 Chania multitudinisentens RB-25
Sulfate		Escherichia coli Pseudomonas aeruginosa Escherichia coli SMS-3-5 Escherichia coli UTI89 Escherichia coli 55989 Escherichia coli SE11 Mycobacterium marinum M Pseudomonas aeruginosa PA7 Acinetobacter sp. ADP1 Actinobacillus succinogenes 130Z Escherichia coli CFT073 Myxococcus xanthus DK 1622 Ochrobactrum anthropi Bacillus subtilis Pseudomonas stutzeri Mycobacterium tuberculosis Klebsiella pneumoniae Bacillus cereus Pseudomonas fluorescens Pf-5 Streptomyces griseus subsp. griseus NBRC 13350 Mycobacterium tuberculosis CDC1551 Bacillus amyloliquefaciens Salmonella enterica Clostridium acetobutylicum ATCC 824 Staphylococcus aureus Methanoculleus marisnigri Aromatoleum aromaticum EbN1 Saccharopolyspora erythraea NRRL 2338 Streptomyces avermitilis MA-4680 Shewanella denitrificans OS217 Acinetobacter baumannii Bacillus cereus AH187 (F4810/72) Bacillus halodurans C-125 Alkalihalobacillus pseudofirmus OF4 Bacillus timonensis 10403023 Brevibacillus brevis NBRC 100599 Geobacter metallireducens Methylobacterium nodulans Buchnera aphidicola Pelobacter carbinolicus Spirochaeta thermophila Thermus thermophilus Burkholderia cepacia Pseudomonas fluorescens Pseudomonas mendocina Pseudomonas putida Pseudomonas syringae Xanthomonas campestris Bradyrhizobium japonicum Mesorhizobium loti Sinorhizobium meliloti Methylococcus capsulatus Neisseria gonorrhoeae Neisseria mucosa Acidiphilium cryptum Chromobacterium violaceum Citrobacter koseri Proteus mirabilis Shigella boydii Shigella dysenteriae Shigella flexneri Shigella sonnei Aeromonas hydrophila Vibrio cholerae Vibrio vulnificus Desulfovibrio salexigens Acidithiobacillus ferrooxidans Cytophaga hutchinsonii Rhodopseudomonas palustris Staphylococcus epidermidis Bacillus licheniformis Priestia megaterium Bacillus mycoides Bacillus pumilus Bacillus thuringiensis Clostridium kluyveri Lactobacillus coryniformis Cellulomonas flavigena Mycobacterium avium Xylella fastidiosa Roseobacter denitrificans Staphylococcus lugdunensis Acidothermus cellulolyticus Neisseria subflava Staphylococcus saprophyticus Pelobacter propionicus Enterococcus avium Thiobacillus denitrificans Eubacterium ramulus Sulfurimonas denitrificans Actinosynnema mirum Burkholderia vietnamiensis Sodalis glossinidius Methanocaldococcus infernus Enterobacter cancerogenus Methanocaldococcus vulcanius Bacillus clausii Bacillus pseudofirmus Methanocaldococcus fervens Achromobacter xylosoxidans Burkholderia multivorans Burkholderia cenocepacia Methylibium petroleiphilum Pelotomaculum thermopropionicum Citrobacter youngae Burkholderia ambifaria Ilyobacter polytropus Alicycliphilus denitrificans Desulfovibrio magneticus Shewanella denitrificans Methylocella silvestris Escherichia albertii Geobacter bemidjiensis Agrobacterium tumefaciens Haemophilus parainfluenzae Klebsiella variicola Achromobacter xylosoxidans A8 Acinetobacter baumannii SDF Acinetobacter baumannii ACICU Acinetobacter baumannii AB0057 Acinetobacter baumannii AB307-0294 Actinobacillus pleuropneumoniae serovar 3 str. JL03 Actinobacillus pleuropneumoniae serovar 7 str. AP76 Aeromonas hydrophila subsp. hydrophila ATCC 7966 Agrobacterium tumefaciens str. C58 Bacillus cereus ATCC 10987 Bacillus megaterium QM B1551 Bacillus thuringiensis serovar konkukian str. 97-27 Bacillus licheniformis ATCC 14580 Bacillus clausii KSM-K16 Bacillus amyloliquefaciens FZB42 Bacillus pumilus SAFR-032 Bacillus cereus B4264 Bacillus cereus AH820 Bacillus cereus G9842 Bacillus cereus Q1 Priestia megaterium DSM 319 Bacillus subtilis subsp. spizizenii str. W23 Bacillus amyloliquefaciens DSM 7 Bradyrhizobium japonicum USDA 110 Buchnera aphidicola str. APS (Acyrthosiphon pisum) Buchnera aphidicola str. 5A (Acyrthosiphon pisum) Citrobacter koseri ATCC BAA-895 Cronobacter sakazakii ATCC BAA-894 Delftia acidovorans SPH-1 Dyadobacter fermentans DSM 18053 Enterobacter cloacae subsp. cloacae ATCC 13047 Escherichia coli APEC O1 Escherichia coli E24377A Escherichia coli O127:H6 str. E2348/69 Escherichia coli UMN026 Escherichia fergusonii ATCC 35469 Escherichia coli ED1a Escherichia coli IAI39 Klebsiella pneumoniae subsp. pneumoniae MGH 78578 Lysinibacillus sphaericus C3-41 Mesorhizobium loti MAFF303099 Methylobacterium radiotolerans JCM 2831 Methylobacterium populi BJ001 Mycobacterium avium subsp. paratuberculosis K-10 Mycobacterium avium 104 Neisseria meningitidis MC58 Neisseria meningitidis Z2491 Neisseria meningitidis FAM18 Neisseria gonorrhoeae NCCP11945 Escherichia coli 042 Acinetobacter calcoaceticus PHEA-2 Edwardsiella tarda FL6-60 Proteus mirabilis HI4320 Pseudomonas putida KT2440 Pseudomonas fluorescens Pf0-1 Pseudomonas stutzeri A1501 Pseudomonas fluorescens SBW25 Pseudomonas putida GB-1 Rhizobium leguminosarum bv. viciae 3841 Rhodococcus erythropolis PR4 Salmonella enterica subsp. enterica serovar Typhimurium str. LT2 Salmonella enterica subsp. enterica serovar Newport str. SL254 Salmonella enterica subsp. enterica serovar Heidelberg str. SL476 Salmonella enterica subsp. enterica serovar Agona str. SL483 Salmonella enterica subsp. enterica serovar Dublin str. CT02021853 Shigella sonnei Ss046 Shigella dysenteriae Sd197 Shigella flexneri 5 str. 8401 Spirosoma linguale DSM 74 Staphylococcus aureus subsp. aureus Mu50 Staphylococcus aureus subsp. aureus COL Staphylococcus aureus subsp. aureus MRSA252 Staphylococcus epidermidis RP62A Staphylococcus epidermidis ATCC 12228 Staphylococcus haemolyticus JCSC1435 Staphylococcus saprophyticus subsp. saprophyticus ATCC 15305 Staphylococcus aureus subsp. aureus NCTC 8325 Vibrio parahaemolyticus RIMD 2210633 Wolinella succinogenes DSM 1740 Yersinia enterocolitica subsp. enterocolitica 8081 Yersinia pseudotuberculosis IP 31758 Aquifex aeolicus Spirosoma linguale Cetobacterium somerae ATCC BAA-474 Thermodesulfovibrio yellowstonii Beijerinckia indica Bradyrhizobium elkanii Methylobacterium mesophilicum Methylobacterium mesophilicum SR1.6/6 Azorhizobium caulinodans Xanthobacter autotrophicus Burkholderia cepacia GG4 Lautropia mirabilis Lautropia mirabilis ATCC 51599 Laribacter hongkongensis Neisseria elongata Neisseria elongata subsp. glycolytica ATCC 29315 Neisseria macacae Neisseria macacae ATCC 33926 Neisseria meningitidis Neisseria mucosa ATCC 25996 Neisseria subflava NJ9703 Nitrosospira multiformis Methyloversatilis universalis Methyloversatilis universalis FAM5 Bilophila wadsworthia 3_1_6 Aeromonas caviae Aeromonas media Aeromonas veronii Allochromatium vinosum Cedecea davisae Cedecea davisae DSM 4568 Citrobacter amalonaticus Citrobacter amalonaticus Y19 Citrobacter freundii Citrobacter youngae ATCC 29220 Enterobacter hormaechei Escherichia albertii TW07627 Klebsiella aerogenes Salmonella Salmonella enterica subsp. enterica serovar Typhimurium Trabulsiella guamensis Trabulsiella guamensis ATCC 49490 Tatumella ptyseos Tatumella ptyseos ATCC 33301 Edwardsiella tarda Edwardsiella tarda ATCC 23685 Hafnia alvei Hafnia alvei ATCC 51873 Morganella morganii Morganella morganii subsp. morganii KT Providencia rustigianii DSM 4541 Providencia stuartii ATCC 25827 Serratia marcescens subsp. marcescens Db11 Yersinia enterocolitica Yersinia pestis Yersinia pseudotuberculosis Plesiomonas shigelloides 302-73 Actinobacillus pleuropneumoniae Acinetobacter pittii Acinetobacter haemolyticus Acinetobacter johnsonii Acinetobacter johnsonii SH046 Acinetobacter junii SH205 Grimontia hollisae CIP 101886 Vibrio fluvialis Vibrio fluvialis PG41 Vibrio parahaemolyticus Vibrio mimicus Leptospira interrogans Gordonia terrae C-6 Rhodococcus erythropolis Kocuria palustris PEL Cellulosimicrobium cellulans Streptomyces avermitilis Thermomonospora curvata Bacillus altitudinis Bacillus infantis NRRL B-14911 Bacillus firmus DS1 Lysinibacillus sphaericus Listeria grayi Listeria grayi DSM 20601 Aneurinibacillus aneurinilyticus Aneurinibacillus aneurinilyticus ATCC 12856 Paenibacillus lactis 154 Enterococcus caccae ATCC BAA-1240 Enterococcus phoeniculicola ATCC BAA-412 Lactobacillus coryniformis subsp. coryniformis CECT 5711 Eubacterium ramulus ATCC 29099 Streptomyces coelicolor A3(2) Bordetella pertussis Tohama I Bordetella parapertussis 12822 Ralstonia eutropha H16 Xanthomonas campestris pv. campestris str. ATCC 33913 Xanthomonas campestris pv. campestris str. B100 Xanthomonas campestris pv. campestris str. 8004 Vibrio cholerae M66-2 Vibrio cholerae O1 biovar El Tor str. N16961 Shewanella frigidimarina NCIMB 400 Bacillus cytotoxicus NVH 391-98 Acidothermus cellulolyticus 11B Alicyclobacillus acidocaldarius subsp. acidocaldarius DSM 446 Alkaliphilus metalliredigens QYMF Amycolatopsis mediterranei U32 Anoxybacillus flavithermus WK1 Arthrobacter aurescens TC1 Candidatus Desulforudis audaxviator MP104C Carboxydothermus hydrogenoformans Z-2901 Catenulispora acidiphila DSM 44928 Cellulomonas flavigena DSM 20109 Clostridium thermocellum ATCC 27405 Clostridium kluyveri DSM 555 Clostridium kluyveri NBRC 12016 Conexibacter woesei DSM 14684 Deinococcus geothermalis DSM 11300 Frankia alni ACN14a Frankia sp. EuI1c Geobacillus kaustophilus HTA426 Geobacillus thermodenitrificans NG80-2 Gordonia bronchialis DSM 43247 Intrasporangium calvum DSM 43043 Jonesia denitrificans DSM 20603 Kribbella flavida DSM 17836 Meiothermus ruber DSM 1279 Mycobacterium bovis AF2122/97 Mycobacterium ulcerans Agy99 Mycobacterium vanbaalenii PYR-1 Mycobacterium bovis BCG str. Pasteur 1173P2 Mycobacterium tuberculosis H37Ra Mycobacterium abscessus ATCC 19977 Mycobacterium sp. Spyr1 Mycobacterium sp. JDM601 Mycobacterium canettii CIPT 140010059 Nakamurella multipartita DSM 44233 Nocardia farcinica IFM 10152 Nocardioides sp. JS614 Oceanobacillus iheyensis HTE831 Bacillus tusciae DSM 2912 Thermobaculum terrenum ATCC BAA-798 Pelotomaculum thermopropionicum SI Pseudonocardia dioxanivorans CB1190 Rhodococcus opacus B4 Rhodococcus jostii RHA1 Rhodococcus equi 103S Rubrobacter xylanophilus DSM 9941 Saccharomonospora viridis DSM 43017 Salinispora tropica CNB-440 Stackebrandtia nassauensis DSM 44728 Staphylococcus carnosus subsp. carnosus TM300 Streptomyces scabiei 87.22 Streptomyces violaceusniger Tu 4113 Streptosporangium roseum DSM 43021 Thermoanaerobacterium thermosaccharolyticum DSM 571 Thermobispora bispora DSM 43833 Thermomonospora curvata DSM 43183 Tsukamurella paurometabola DSM 20162 Aspergillus nomiae NRRL 13137 Aspergillus novofumigatus Aspergillus novofumigatus IBT 16806 Aspergillus parasiticus SU-1 Aspergillus phoenicis Aspergillus ruber Aspergillus sclerotioniger Aspergillus glaucus Aspergillus aculeatus ATCC 16872 Aspergillus leporis Aspergillus niger ATCC 1015 Aspergillus oryzae RIB40 Aspergillus terreus NIH2624 Aspergillus wentii Aspergillus clavatus NRRL 1 Aspergillus fischeri NRRL 181 Aspergillus fumigatus A1163 Aspergillus fumigatus Af293 Aspergillus calidoustus Aspergillus nidulans FGSC A4 Aspergillus taichungensis Aspergillus tamarii Aspergillus thermomutatus Aspergillus tubingensis Aspergillus violaceofuscus Aspergillus viridinutans Penicillium brasilianum Penicillium brevicompactum Penicillium canescens Penicillium chermesinum Penicillium citrinum Penicillium concentricum Penicillium daleae Penicillium decumbens Penicillium griseofulvum Penicillium hordei Penicillium italicum Penicillium nalgiovense Penicillium oxalicum Penicillium polonicum Penicillium roqueforti FM164 Penicillium solitum Penicillium steckii Penicillium thymicola Penicillium vulpinum Verticillium alfalfae VaMs.102 Trichoderma arundinaceum Trichoderma asperellum Trichoderma atroviride IMI 206040 Trichoderma citrinoviride Trichoderma harzianum Trichoderma longibrachiatum Trichoderma parareesei Trichoderma reesei QM6a Trichoderma virens Trichoderma virens Gv29-8 Fusarium acutatum Fusarium fujikuroi IMI 58289 Fusarium mangiferae Fusarium nygamai Fusarium proliferatum ET1 Fusarium subglutinans Fusarium verticillioides 7600 Fusarium heterosporum Fusarium equiseti Fusarium oxysporum Fo5176 Fusarium oxysporum f. sp. lycopersici 4287 Fusarium austroamericanum Fusarium graminearum PH-1 Fusarium poae Fusarium pseudograminearum CS3096 Fusarium sporotrichioides Fusarium vanettenii Fusarium vanettenii 77-13-4 Fusarium tricinctum Paraburkholderia graminis C4D1M Mycolicibacterium fortuitum subsp. fortuitum DSM 46621 = ATCC 6841 Rhodococcus hoagii ATCC 33707 Anaerobutyricum hallii DSM 3353 Klebsiella aerogenes KCTC 2190 Acaryochloris marina MBIC11017 Acidiphilium cryptum JF-5 Acidiphilium multivorum AIU301 Acidithiobacillus ferrooxidans ATCC 23270 Acidobacterium capsulatum ATCC 51196 Acidovorax citrulli AAC00-1 Acidovorax sp. JS42 Acidovorax ebreus TPSY Aeromonas salmonicida subsp. salmonicida A449 Agrobacterium vitis S4 Alcanivorax borkumensis SK2 Alicycliphilus denitrificans K601 Vibrio fischeri MJ11 Aliivibrio salmonicida LFI1238 Alkalilimnicola ehrlichii MLHE-1 Anabaena variabilis ATCC 29413 Anaeromyxobacter sp. K Anaeromyxobacter dehalogenans 2CP-1 Arcobacter nitrofigilis DSM 7299 Azorhizobium caulinodans ORS 571 Azotobacter vinelandii DJ Mannheimia succiniciproducens MBEL55E Beijerinckia indica subsp. indica ATCC 9039 Bordetella petrii DSM 12804 Bradyrhizobium sp. ORS278 Bradyrhizobium sp. BTAi1 Brucella melitensis bv. 1 str. 16M Brucella canis ATCC 23365 Brucella suis ATCC 23445 Brucella melitensis ATCC 23457 Brucella microti CCM 4915 Burkholderia mallei ATCC 23344 Burkholderia pseudomallei 1710b Burkholderia sp. 383 Burkholderia xenovorans LB400 Burkholderia ambifaria AMMD Burkholderia mallei NCTC 10229 Burkholderia pseudomallei 1106a Burkholderia vietnamiensis G4 Burkholderia cenocepacia MC0-3 Burkholderia ambifaria MC40-6 Burkholderia phymatum STM815 Burkholderia phytofirmans PsJN Burkholderia cenocepacia J2315 Burkholderia rhizoxinica HKI 454 Candidatus Blochmannia floridanus Candidatus Blochmannia pennsylvanicus str. BPEN Candidatus Moranella endobia PCIT Caulobacter crescentus CB15 Caulobacter crescentus NA1000 Caulobacter segnis ATCC 21756 Cellulophaga algicola DSM 14237 Clostridium lentocellum DSM 5427 Cellvibrio japonicus Ueda107 Cellvibrio gilvus ATCC 13127 Chitinophaga pinensis DSM 2588 Chloroflexus aurantiacus J-10-fl Chloroflexus aggregans DSM 9485 Chromohalobacter salexigens DSM 3043 Citrobacter rodentium ICC168 Colwellia psychrerythraea 34H Cronobacter turicensis z3032 Cupriavidus metallidurans CH34 Cupriavidus taiwanensis LMG 19424 Cupriavidus necator N-1 Cyanothece sp. ATCC 51142 Cyanothece sp. PCC 8801 Cyanothece sp. PCC 7424 Cytophaga hutchinsonii ATCC 33406 Deinococcus deserti VCD115 Desulfitobacterium hafniense Y51 Desulfitobacterium hafniense DCB-2 Desulfomicrobium baculatum DSM 4028 Desulfovibrio vulgaris str. Hildenborough Desulfovibrio vulgaris DP4 Desulfovibrio magneticus RS-1 Desulfovibrio salexigens DSM 2638 Dickeya dadantii Ech703 Dickeya zeae Ech1591 Dickeya dadantii Ech586 Dickeya dadantii 3937 Dinoroseobacter shibae DFL 12 Edwardsiella ictaluri 93-146 Enterobacter sp. 638 Enterobacter cloacae SCF1 Erwinia tasmaniensis Et1/99 Erwinia amylovora CFBP1430 Erwinia billingiae Eb661 Erythrobacter litoralis HTCC2594 Ferrimonas balearica DSM 9799 Geobacter metallireducens GS-15 Geobacter uraniireducens Rf4 Geobacter bemidjiensis Bem Geobacter sp. FRC-32 Geobacter sp. M18 Gloeobacter violaceus PCC 7421 Gluconacetobacter diazotrophicus PAl 5 Gluconobacter oxydans 621H Hahella chejuensis KCTC 2396 Haliangium ochraceum DSM 14365 Halorhodospira halophila SL1 Halothiobacillus neapolitanus c2 Heliobacterium modesticaldum Ice1 Herminiimonas arsenicoxydans Herpetosiphon aurantiacus DSM 785 Hyphomonas neptunium ATCC 15444 Ilyobacter polytropus DSM 2926 Isosphaera pallida ATCC 43644 Jannaschia sp. CCS1 Janthinobacterium sp. Marseille Klebsiella pneumoniae 342 Leadbetterella byssophila DSM 17132 Leptospira borgpetersenii serovar Hardjo-bovis JB197 Leptothrix cholodnii SP-6 Magnetospirillum magneticum AMB-1 Maricaulis maris MCS10 Marinobacter aquaeolei VT8 Marinomonas mediterranea MMB-1 Meiothermus silvanus DSM 9946 Methanocaldococcus fervens AG86 Methanocaldococcus vulcanius M7 Methanocaldococcus infernus ME Methanoculleus marisnigri JR1 Methylibium petroleiphilum PM1 Methylobacillus flagellatus KT Methylobacterium chloromethanicum CM4 Methylobacterium nodulans ORS 2060 Methylocella silvestris BL2 Microcystis aeruginosa NIES-843 Neisseria meningitidis alpha14 Neisseria lactamica 020-06 Nitrobacter winogradskyi Nb-255 Nitrobacter hamburgensis X14 Nitrosococcus oceani ATCC 19707 Nitrosococcus halophilus Nc4 Nitrosomonas eutropha C91 Nitrosospira multiformis ATCC 25196 Nostoc sp. PCC 7120 Nostoc punctiforme PCC 73102 Bordetella bronchiseptica RB50 Geobacter sulfurreducens PCA Xanthomonas axonopodis pv. citri str. 306 Leptospira interrogans serovar Lai str. 56601 Nitrosomonas europaea ATCC 19718 Chromobacterium violaceum ATCC 12472 Leptospira interrogans serovar Copenhageni str. Fiocruz L1-130 Thermus thermophilus HB27 Sodalis glossinidius str. 'morsitans' Synechococcus sp. JA-2-3B'a(2-13) Magnetococcus sp. MC-1 Sorangium cellulosum 'So ce 56' Opitutus terrae PB90-1 Leptospira biflexa serovar Patoc strain 'Patoc 1 (Paris)' Alteromonas macleodii str. 'Deep ecotype' Thermodesulfovibrio yellowstonii DSM 11347 Rhodobacter capsulatus SB1003 Pantoea ananatis LMG 20103 Paracoccus denitrificans PD1222 Parvibaculum lavamentivorans DS-1 Pectobacterium atrosepticum SCRI1043 Pectobacterium carotovorum subsp. carotovorum PC1 Pelobacter carbinolicus DSM 2380 Pelobacter propionicus DSM 2379 Chlorobium luteolum DSM 273 Persephonella marina EX-H1 Photobacterium profundum SS9 Photorhabdus luminescens subsp. laumondii TTO1 Photorhabdus asymbiotica subsp. asymbiotica ATCC 43949 Pirellula staleyi DSM 6068 Planctomyces limnophilus DSM 3776 Polaromonas sp. JS666 Polaromonas naphthalenivorans CJ2 Polynucleobacter necessarius subsp. asymbioticus QLW-P1DMWA-1 Prochlorococcus marinus subsp. marinus str. CCMP1375 Prochlorococcus marinus str. MIT 9313 Prochlorococcus marinus subsp. pastoris str. CCMP1986 Prochlorococcus marinus str. NATL2A Prochlorococcus marinus str. MIT 9312 Prochlorococcus marinus str. AS9601 Prochlorococcus marinus str. MIT 9515 Prochlorococcus marinus str. NATL1A Prochlorococcus marinus str. MIT 9303 Prochlorococcus marinus str. MIT 9301 Prochlorococcus marinus str. MIT 9215 Prochlorococcus marinus str. MIT 9211 Prosthecochloris aestuarii DSM 271 Pseudoalteromonas haloplanktis TAC125 Pseudomonas syringae pv. tomato str. DC3000 Pseudomonas syringae pv. phaseolicola 1448A Pseudomonas syringae pv. syringae B728a Pseudomonas entomophila L48 Pseudomonas fulva 12-X Psychromonas ingrahamii 37 Ralstonia solanacearum GMI1000 Rhodopirellula baltica SH 1 Rhodopseudomonas palustris CGA009 Rhodopseudomonas palustris HaA2 Rhodopseudomonas palustris BisB5 Rhodospirillum centenum SW Rhodothermus marinus DSM 4252 Roseiflexus sp. RS-1 Roseiflexus castenholzii DSM 13941 Roseobacter denitrificans OCh 114 Roseobacter litoralis Och 149 Ruegeria pomeroyi DSS-3 Saccharophagus degradans 2-40 Salmonella enterica subsp. enterica serovar Paratyphi A str. Sebaldella termitidis ATCC 33386 Shewanella oneidensis MR-1 Shewanella sp. ANA-3 Shewanella amazonensis SB2B Shewanella sp. W3-18-1 Shewanella baltica OS155 Shewanella loihica PV-4 Shewanella sediminis HAW-EB3 Shewanella pealeana ATCC 700345 Shewanella baltica OS195 Shewanella halifaxensis HAW-EB4 Shewanella woodyi ATCC 51908 Shewanella piezotolerans WP3 Shewanella violacea DSS12 Shigella flexneri 2a str. 301 Shigella boydii Sb227 Shigella boydii CDC 3083-94 Sinorhizobium meliloti 1021 Sinorhizobium medicae WSM419 Sphingomonas wittichii RW1 Sulfurimonas denitrificans DSM 1251 Synechococcus sp. WH 8102 Synechococcus sp. CC9902 Synechococcus sp. JA-3-3Ab Synechococcus sp. CC9311 Synechococcus sp. WH 7803 Synechococcus sp. RCC307 Synechococcus sp. PCC 7002 Teredinibacter turnerae T7901 Thermosipho melanesiensis BI429 Thermosipho africanus TCF52B Tolumonas auensis DSM 9187 Variovorax paradoxus EPS Verminephrobacter eiseniae EF01-2 Vibrio vulnificus CMCP6 Vibrio vulnificus YJ016 Vibrio splendidus LGP32 Xanthobacter autotrophicus Py2 Xanthomonas oryzae pv. oryzae KACC10331 Xanthomonas campestris pv. vesicatoria str. 85-10 Xanthomonas oryzae pv. oryzae PXO99A Xenorhabdus bovienii SS-2004 Xenorhabdus nematophila ATCC 19061 Xylella fastidiosa 9a5c Xylella fastidiosa Temecula1 Xylella fastidiosa M23 Zymomonas mobilis subsp. pomaceae ATCC 29192 Neisseria meningitidis serogroup C Atlantibacter hermannii NBRC 105704 Klebsiella michiganensis KCTC 1686 Chania multitudinisentens RB-25
Sulfur Metabolism		Escherichia coli Escherichia coli SMS-3-5 Escherichia coli UTI89 Escherichia coli 55989 Escherichia coli SE11 Acinetobacter sp. ADP1 Escherichia coli CFT073 Klebsiella pneumoniae Pseudomonas fluorescens Pf-5 Streptomyces griseus subsp. griseus NBRC 13350 Saccharopolyspora erythraea NRRL 2338 Acinetobacter baumannii Burkholderia cepacia Pseudomonas fluorescens Pseudomonas mendocina Xanthomonas campestris Bradyrhizobium japonicum Citrobacter koseri Shigella boydii Shigella dysenteriae Shigella flexneri Shigella sonnei Aeromonas hydrophila Vibrio vulnificus Rhodopseudomonas palustris Burkholderia vietnamiensis Enterobacter cancerogenus Achromobacter xylosoxidans Burkholderia multivorans Burkholderia cenocepacia Citrobacter youngae Burkholderia ambifaria Alicycliphilus denitrificans Escherichia albertii Klebsiella variicola Achromobacter xylosoxidans A8 Acinetobacter baumannii ACICU Acinetobacter baumannii AB0057 Acinetobacter baumannii AB307-0294 Aeromonas hydrophila subsp. hydrophila ATCC 7966 Bradyrhizobium japonicum USDA 110 Citrobacter koseri ATCC BAA-895 Delftia acidovorans SPH-1 Enterobacter cloacae subsp. cloacae ATCC 13047 Escherichia coli APEC O1 Escherichia coli E24377A Escherichia coli O127:H6 str. E2348/69 Escherichia coli UMN026 Escherichia fergusonii ATCC 35469 Escherichia coli ED1a Escherichia coli IAI39 Klebsiella pneumoniae subsp. pneumoniae MGH 78578 Escherichia coli 042 Acinetobacter calcoaceticus PHEA-2 Rhodococcus erythropolis PR4 Shigella sonnei Ss046 Shigella dysenteriae Sd197 Shigella flexneri 5 str. 8401 Yersinia enterocolitica subsp. enterocolitica 8081 Yersinia pseudotuberculosis IP 31758 Beijerinckia indica Bradyrhizobium elkanii Xanthobacter autotrophicus Burkholderia cepacia GG4 Aeromonas caviae Aeromonas media Aeromonas veronii Cedecea davisae Cedecea davisae DSM 4568 Citrobacter amalonaticus Citrobacter amalonaticus Y19 Citrobacter freundii Citrobacter youngae ATCC 29220 Escherichia albertii TW07627 Klebsiella aerogenes Trabulsiella guamensis Trabulsiella guamensis ATCC 49490 Hafnia alvei ATCC 51873 Morganella morganii Morganella morganii subsp. morganii KT Yersinia enterocolitica Yersinia pestis Yersinia pseudotuberculosis Plesiomonas shigelloides 302-73 Acinetobacter pittii Acinetobacter haemolyticus Acinetobacter johnsonii Acinetobacter johnsonii SH046 Acinetobacter junii SH205 Vibrio fluvialis Vibrio fluvialis PG41 Vibrio mimicus Gordonia terrae C-6 Rhodococcus erythropolis Bordetella pertussis Tohama I Bordetella parapertussis 12822 Ralstonia eutropha H16 Xanthomonas campestris pv. campestris str. ATCC 33913 Xanthomonas campestris pv. campestris str. B100 Xanthomonas campestris pv. campestris str. 8004 Vibrio cholerae M66-2 Vibrio cholerae O1 biovar El Tor str. N16961 Catenulispora acidiphila DSM 44928 Gordonia bronchialis DSM 43247 Mycobacterium vanbaalenii PYR-1 Mycobacterium abscessus ATCC 19977 Mycobacterium sp. Spyr1 Rhodococcus opacus B4 Rhodococcus jostii RHA1 Streptomyces scabiei 87.22 Streptosporangium roseum DSM 43021 Aspergillus aculeatus ATCC 16872 Aspergillus violaceofuscus Trichoderma asperellum Trichoderma virens Trichoderma virens Gv29-8 Fusarium fujikuroi IMI 58289 Fusarium nygamai Fusarium proliferatum ET1 Fusarium subglutinans Fusarium verticillioides 7600 Fusarium vanettenii Fusarium vanettenii 77-13-4 Paraburkholderia graminis C4D1M Mycolicibacterium fortuitum subsp. fortuitum DSM 46621 = ATCC 6841 Klebsiella aerogenes KCTC 2190 Rhodoferax ferrireducens T118 Alicycliphilus denitrificans K601 Anabaena variabilis ATCC 29413 Beijerinckia indica subsp. indica ATCC 9039 Bordetella petrii DSM 12804 Bradyrhizobium sp. ORS278 Bradyrhizobium sp. BTAi1 Burkholderia mallei ATCC 23344 Burkholderia pseudomallei 1710b Burkholderia sp. 383 Burkholderia xenovorans LB400 Burkholderia ambifaria AMMD Burkholderia mallei NCTC 10229 Burkholderia pseudomallei 1106a Burkholderia vietnamiensis G4 Burkholderia cenocepacia MC0-3 Burkholderia ambifaria MC40-6 Burkholderia phymatum STM815 Burkholderia phytofirmans PsJN Burkholderia cenocepacia J2315 Caulobacter segnis ATCC 21756 Citrobacter rodentium ICC168 Cronobacter turicensis z3032 Cupriavidus metallidurans CH34 Cupriavidus taiwanensis LMG 19424 Cupriavidus necator N-1 Enterobacter sp. 638 Enterobacter cloacae SCF1 Erwinia tasmaniensis Et1/99 Erwinia amylovora CFBP1430 Hyphomonas neptunium ATCC 15444 Janthinobacterium sp. Marseille Klebsiella pneumoniae 342 Nostoc punctiforme PCC 73102 Bordetella bronchiseptica RB50 Sorangium cellulosum 'So ce 56' Rhodobacter capsulatus SB1003 Pantoea ananatis LMG 20103 Photobacterium profundum SS9 Photorhabdus luminescens subsp. laumondii TTO1 Rhodopseudomonas palustris CGA009 Rhodopseudomonas palustris HaA2 Rhodopseudomonas palustris BisB5 Shigella flexneri 2a str. 301 Shigella boydii Sb227 Shigella boydii CDC 3083-94 Sphingomonas wittichii RW1 Teredinibacter turnerae T7901 Vibrio vulnificus CMCP6 Vibrio vulnificus YJ016 Vibrio splendidus LGP32 Xanthobacter autotrophicus Py2 Klebsiella michiganensis KCTC 1686
Sulfur Metabolism (Butanesulfonate)		Escherichia coli Escherichia coli SMS-3-5 Escherichia coli UTI89 Escherichia coli 55989 Escherichia coli SE11 Acinetobacter sp. ADP1 Escherichia coli CFT073 Klebsiella pneumoniae Pseudomonas fluorescens Pf-5 Streptomyces griseus subsp. griseus NBRC 13350 Saccharopolyspora erythraea NRRL 2338 Acinetobacter baumannii Burkholderia cepacia Pseudomonas fluorescens Pseudomonas mendocina Xanthomonas campestris Bradyrhizobium japonicum Citrobacter koseri Shigella boydii Shigella dysenteriae Shigella flexneri Shigella sonnei Aeromonas hydrophila Vibrio vulnificus Rhodopseudomonas palustris Burkholderia vietnamiensis Enterobacter cancerogenus Achromobacter xylosoxidans Burkholderia multivorans Burkholderia cenocepacia Citrobacter youngae Burkholderia ambifaria Alicycliphilus denitrificans Escherichia albertii Klebsiella variicola Achromobacter xylosoxidans A8 Acinetobacter baumannii ACICU Acinetobacter baumannii AB0057 Acinetobacter baumannii AB307-0294 Aeromonas hydrophila subsp. hydrophila ATCC 7966 Bradyrhizobium japonicum USDA 110 Citrobacter koseri ATCC BAA-895 Delftia acidovorans SPH-1 Enterobacter cloacae subsp. cloacae ATCC 13047 Escherichia coli APEC O1 Escherichia coli E24377A Escherichia coli O127:H6 str. E2348/69 Escherichia coli UMN026 Escherichia fergusonii ATCC 35469 Escherichia coli ED1a Escherichia coli IAI39 Klebsiella pneumoniae subsp. pneumoniae MGH 78578 Escherichia coli 042 Acinetobacter calcoaceticus PHEA-2 Rhodococcus erythropolis PR4 Shigella sonnei Ss046 Shigella dysenteriae Sd197 Shigella flexneri 5 str. 8401 Yersinia enterocolitica subsp. enterocolitica 8081 Yersinia pseudotuberculosis IP 31758 Beijerinckia indica Bradyrhizobium elkanii Xanthobacter autotrophicus Burkholderia cepacia GG4 Aeromonas caviae Aeromonas media Aeromonas veronii Cedecea davisae Cedecea davisae DSM 4568 Citrobacter amalonaticus Citrobacter amalonaticus Y19 Citrobacter freundii Citrobacter youngae ATCC 29220 Escherichia albertii TW07627 Klebsiella aerogenes Trabulsiella guamensis Trabulsiella guamensis ATCC 49490 Hafnia alvei ATCC 51873 Morganella morganii Morganella morganii subsp. morganii KT Yersinia enterocolitica Yersinia pestis Yersinia pseudotuberculosis Plesiomonas shigelloides 302-73 Acinetobacter pittii Acinetobacter haemolyticus Acinetobacter johnsonii Acinetobacter johnsonii SH046 Acinetobacter junii SH205 Vibrio fluvialis Vibrio fluvialis PG41 Vibrio mimicus Gordonia terrae C-6 Rhodococcus erythropolis Bordetella pertussis Tohama I Bordetella parapertussis 12822 Ralstonia eutropha H16 Xanthomonas campestris pv. campestris str. ATCC 33913 Xanthomonas campestris pv. campestris str. B100 Xanthomonas campestris pv. campestris str. 8004 Vibrio cholerae M66-2 Vibrio cholerae O1 biovar El Tor str. N16961 Catenulispora acidiphila DSM 44928 Gordonia bronchialis DSM 43247 Mycobacterium vanbaalenii PYR-1 Mycobacterium abscessus ATCC 19977 Mycobacterium sp. Spyr1 Rhodococcus opacus B4 Rhodococcus jostii RHA1 Streptomyces scabiei 87.22 Streptosporangium roseum DSM 43021 Aspergillus aculeatus ATCC 16872 Aspergillus violaceofuscus Trichoderma asperellum Trichoderma virens Trichoderma virens Gv29-8 Fusarium fujikuroi IMI 58289 Fusarium nygamai Fusarium proliferatum ET1 Fusarium subglutinans Fusarium verticillioides 7600 Fusarium vanettenii Fusarium vanettenii 77-13-4 Paraburkholderia graminis C4D1M Mycolicibacterium fortuitum subsp. fortuitum DSM 46621 = ATCC 6841 Klebsiella aerogenes KCTC 2190 Rhodoferax ferrireducens T118 Alicycliphilus denitrificans K601 Anabaena variabilis ATCC 29413 Beijerinckia indica subsp. indica ATCC 9039 Bordetella petrii DSM 12804 Bradyrhizobium sp. ORS278 Bradyrhizobium sp. BTAi1 Burkholderia mallei ATCC 23344 Burkholderia pseudomallei 1710b Burkholderia sp. 383 Burkholderia xenovorans LB400 Burkholderia ambifaria AMMD Burkholderia mallei NCTC 10229 Burkholderia pseudomallei 1106a Burkholderia vietnamiensis G4 Burkholderia cenocepacia MC0-3 Burkholderia ambifaria MC40-6 Burkholderia phymatum STM815 Burkholderia phytofirmans PsJN Burkholderia cenocepacia J2315 Caulobacter segnis ATCC 21756 Citrobacter rodentium ICC168 Cronobacter turicensis z3032 Cupriavidus metallidurans CH34 Cupriavidus taiwanensis LMG 19424 Cupriavidus necator N-1 Enterobacter sp. 638 Enterobacter cloacae SCF1 Erwinia tasmaniensis Et1/99 Erwinia amylovora CFBP1430 Hyphomonas neptunium ATCC 15444 Janthinobacterium sp. Marseille Klebsiella pneumoniae 342 Nostoc punctiforme PCC 73102 Bordetella bronchiseptica RB50 Sorangium cellulosum 'So ce 56' Rhodobacter capsulatus SB1003 Pantoea ananatis LMG 20103 Photobacterium profundum SS9 Photorhabdus luminescens subsp. laumondii TTO1 Rhodopseudomonas palustris CGA009 Rhodopseudomonas palustris HaA2 Rhodopseudomonas palustris BisB5 Shigella flexneri 2a str. 301 Shigella boydii Sb227 Shigella boydii CDC 3083-94 Sphingomonas wittichii RW1 Teredinibacter turnerae T7901 Vibrio vulnificus CMCP6 Vibrio vulnificus YJ016 Vibrio splendidus LGP32 Xanthobacter autotrophicus Py2 Klebsiella michiganensis KCTC 1686
Sulfur Metabolism (Ethanesulfonate)		Escherichia coli Escherichia coli SMS-3-5 Escherichia coli UTI89 Escherichia coli 55989 Escherichia coli SE11 Acinetobacter sp. ADP1 Escherichia coli CFT073 Klebsiella pneumoniae Pseudomonas fluorescens Pf-5 Streptomyces griseus subsp. griseus NBRC 13350 Saccharopolyspora erythraea NRRL 2338 Acinetobacter baumannii Burkholderia cepacia Pseudomonas fluorescens Pseudomonas mendocina Xanthomonas campestris Bradyrhizobium japonicum Citrobacter koseri Shigella boydii Shigella dysenteriae Shigella flexneri Shigella sonnei Aeromonas hydrophila Vibrio vulnificus Rhodopseudomonas palustris Burkholderia vietnamiensis Enterobacter cancerogenus Achromobacter xylosoxidans Burkholderia multivorans Burkholderia cenocepacia Citrobacter youngae Burkholderia ambifaria Alicycliphilus denitrificans Escherichia albertii Klebsiella variicola Achromobacter xylosoxidans A8 Acinetobacter baumannii ACICU Acinetobacter baumannii AB0057 Acinetobacter baumannii AB307-0294 Aeromonas hydrophila subsp. hydrophila ATCC 7966 Bradyrhizobium japonicum USDA 110 Citrobacter koseri ATCC BAA-895 Delftia acidovorans SPH-1 Enterobacter cloacae subsp. cloacae ATCC 13047 Escherichia coli APEC O1 Escherichia coli E24377A Escherichia coli O127:H6 str. E2348/69 Escherichia coli UMN026 Escherichia fergusonii ATCC 35469 Escherichia coli ED1a Escherichia coli IAI39 Klebsiella pneumoniae subsp. pneumoniae MGH 78578 Escherichia coli 042 Acinetobacter calcoaceticus PHEA-2 Rhodococcus erythropolis PR4 Shigella sonnei Ss046 Shigella dysenteriae Sd197 Shigella flexneri 5 str. 8401 Yersinia enterocolitica subsp. enterocolitica 8081 Yersinia pseudotuberculosis IP 31758 Beijerinckia indica Bradyrhizobium elkanii Xanthobacter autotrophicus Burkholderia cepacia GG4 Aeromonas caviae Aeromonas media Aeromonas veronii Cedecea davisae Cedecea davisae DSM 4568 Citrobacter amalonaticus Citrobacter amalonaticus Y19 Citrobacter freundii Citrobacter youngae ATCC 29220 Escherichia albertii TW07627 Klebsiella aerogenes Trabulsiella guamensis Trabulsiella guamensis ATCC 49490 Hafnia alvei ATCC 51873 Morganella morganii Morganella morganii subsp. morganii KT Yersinia enterocolitica Yersinia pestis Yersinia pseudotuberculosis Plesiomonas shigelloides 302-73 Acinetobacter pittii Acinetobacter haemolyticus Acinetobacter johnsonii Acinetobacter johnsonii SH046 Acinetobacter junii SH205 Vibrio fluvialis Vibrio fluvialis PG41 Vibrio mimicus Gordonia terrae C-6 Rhodococcus erythropolis Bordetella pertussis Tohama I Bordetella parapertussis 12822 Ralstonia eutropha H16 Xanthomonas campestris pv. campestris str. ATCC 33913 Xanthomonas campestris pv. campestris str. B100 Xanthomonas campestris pv. campestris str. 8004 Vibrio cholerae M66-2 Vibrio cholerae O1 biovar El Tor str. N16961 Catenulispora acidiphila DSM 44928 Gordonia bronchialis DSM 43247 Mycobacterium vanbaalenii PYR-1 Mycobacterium abscessus ATCC 19977 Mycobacterium sp. Spyr1 Rhodococcus opacus B4 Rhodococcus jostii RHA1 Streptomyces scabiei 87.22 Streptosporangium roseum DSM 43021 Aspergillus aculeatus ATCC 16872 Aspergillus violaceofuscus Trichoderma asperellum Trichoderma virens Trichoderma virens Gv29-8 Fusarium fujikuroi IMI 58289 Fusarium nygamai Fusarium proliferatum ET1 Fusarium subglutinans Fusarium verticillioides 7600 Fusarium vanettenii Fusarium vanettenii 77-13-4 Paraburkholderia graminis C4D1M Mycolicibacterium fortuitum subsp. fortuitum DSM 46621 = ATCC 6841 Klebsiella aerogenes KCTC 2190 Rhodoferax ferrireducens T118 Alicycliphilus denitrificans K601 Anabaena variabilis ATCC 29413 Beijerinckia indica subsp. indica ATCC 9039 Bordetella petrii DSM 12804 Bradyrhizobium sp. ORS278 Bradyrhizobium sp. BTAi1 Burkholderia mallei ATCC 23344 Burkholderia pseudomallei 1710b Burkholderia sp. 383 Burkholderia xenovorans LB400 Burkholderia ambifaria AMMD Burkholderia mallei NCTC 10229 Burkholderia pseudomallei 1106a Burkholderia vietnamiensis G4 Burkholderia cenocepacia MC0-3 Burkholderia ambifaria MC40-6 Burkholderia phymatum STM815 Burkholderia phytofirmans PsJN Burkholderia cenocepacia J2315 Caulobacter segnis ATCC 21756 Citrobacter rodentium ICC168 Cronobacter turicensis z3032 Cupriavidus metallidurans CH34 Cupriavidus taiwanensis LMG 19424 Cupriavidus necator N-1 Enterobacter sp. 638 Enterobacter cloacae SCF1 Erwinia tasmaniensis Et1/99 Erwinia amylovora CFBP1430 Hyphomonas neptunium ATCC 15444 Janthinobacterium sp. Marseille Klebsiella pneumoniae 342 Nostoc punctiforme PCC 73102 Bordetella bronchiseptica RB50 Sorangium cellulosum 'So ce 56' Rhodobacter capsulatus SB1003 Pantoea ananatis LMG 20103 Photobacterium profundum SS9 Photorhabdus luminescens subsp. laumondii TTO1 Rhodopseudomonas palustris CGA009 Rhodopseudomonas palustris HaA2 Rhodopseudomonas palustris BisB5 Shigella flexneri 2a str. 301 Shigella boydii Sb227 Shigella boydii CDC 3083-94 Sphingomonas wittichii RW1 Teredinibacter turnerae T7901 Vibrio vulnificus CMCP6 Vibrio vulnificus YJ016 Vibrio splendidus LGP32 Xanthobacter autotrophicus Py2 Klebsiella michiganensis KCTC 1686

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0018244	Adenosine phosphosulfate	Phosphoadenosine phosphosulfate	Adenylyl-sulfate kinase	Phosphorylation	PathBank	31602464
MMDBr0018245	Sulfate	Adenosine phosphosulfate	Sulfate adenylyltransferase subunit 2	Reversible transfer of an adenylyl group	PathBank	31602464
MMDBr0018551	Phosphoadenosine phosphosulfate	Adenosine phosphosulfate	3'(2'),5'-bisphosphate nucleotidase CysQ	Hydrolysis of nucleotide	PathBank	31602464
MMDBr0019929	Sulfate	Adenosine phosphosulfate	Eukaryotic peptide chain release factor GTP-binding subunit		PathBank	31602464
MMDBr0019930	Adenosine phosphosulfate	Phosphoadenosine phosphosulfate	Adenylyl-sulfate kinase	Phosphorylation	PathBank	31602464
MMDBr0019931	Phosphoadenosine phosphosulfate	Adenosine phosphosulfate	Unknown Protein		PathBank	31602464
MMDBr0024700	L-Cystine	L-Cysteine	Adenosine 5'-phosphosulfate reductase	Reduction	RHEA	34755880
MMDBr0024773	Hydrogen Ion	Adenosine phosphosulfate	Adenylylsulfate reductase subunit alpha	Reduction	RHEA	34755880

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	6	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human feces; pleural fluid plaque; bal; River trout ; Sheep ; Human subgingival plaque	Unknown; Metabolic reconstruction
Bacteria/Eubacteria	Proteobacteria	346	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human feces; pleural fluid plaque; bal; River trout ; Sheep ; Human subgingival plaque	Unknown; Metabolic reconstruction
Bacteria/Eubacteria	Firmicutes	168	Human feces; Human sputum; Human ; Human subgingival plaque; Human saliva	Metabolic reconstruction
Bacteria/Eubacteria	Actinobacteria	55	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human mucosa; Human saliva; Human supragingival plaque; Human subgingival plaque; Cattle	Metabolic reconstruction
Bacteria/Eubacteria	Verrucomicrobia	1	Human ; Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Bacteroidetes	76	Human feces; Human ; Human saliva; Human supragingival plaque; Human subgingival plaque	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Archaea	Euryarchaeota	1		Metabolic reconstruction
Bacteria/Eubacteria	Fusobacteria	1	Human ; Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Planctomycetes	2	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	25	Human feces; Human saliva	Unknown
Bacteria/Eubacteria	Chlorobi	5
Eukaryota/Fungi	Basidiomycota	4
Eukaryota/Fungi	Mucoromycota	1
Bacteria	Actinobacteria	1	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human mucosa; Human saliva; Human supragingival plaque; Human subgingival plaque; Cattle	Metabolic reconstruction
Bacteria/Eubacteria	Cyanobacteria	15	Human
Archaea/Archaea	Crenarchaeota	4		Metabolic reconstruction
Archaea/Archaea	Euryarchaeota	3		Metabolic reconstruction
Archaea/Archaea	Thaumarchaeota	2		Metabolic reconstruction
Bacteria/Eubacteria	Chloroflexi	2
Bacteria/Eubacteria	Deinococcus-thermus	3
Bacteria/Eubacteria	Aquificae	2
Bacteria/Eubacteria	Thermotogae	1
Bacteria	nah	2
Bacteria/Eubacteria	Nitrospirae	1

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified				HMDB
Human Fibroblasts	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597
Human Pancreas	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597
Human Platelet	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597
Human Prostate	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597

External Links

HMDB ID

HMDB0001003

DrugBank ID

DB03708

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

Not Available

METLIN ID

5933

PubChem Compound

10238

PDB ID

Not Available

ChEBI ID

17709

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Slomiany BL, Liau YH, Sarosiek J, Tsukada H, Mizuta K, Rosenthal W, Slomiany A: Sulfation of glycolipids by human gastric mucosa in disease. Digestion. 1987;36(4):246-52. doi: 10.1159/000199425. [PubMed:3475228 ]
Eto Y, Tokoro T, Handa T, Herschkowitz NN, Rennert OM: Acid mucopolysaccharide (AMPS) abnormality in multiple sulfatase deficiency: chemical compositions of AMPS in urine and liver. Pediatr Res. 1982 May;16(5):395-9. doi: 10.1203/00006450-198205000-00015. [PubMed:6212904 ]
Raju U, Kadner S, Levitz M, Kaganowicz A, Blaustein A: Glucosiduronidation and esterification of androsterone by human breast tumors in vitro. Steroids. 1981 Apr;37(4):399-407. doi: 10.1016/0039-128x(81)90042-8. [PubMed:7245287 ]
Chou HC, Lang NP, Kadlubar FF: Metabolic activation of N-hydroxy arylamines and N-hydroxy heterocyclic amines by human sulfotransferase(s). Cancer Res. 1995 Feb 1;55(3):525-9. [PubMed:7834621 ]
Keogh JR, Wolf MF, Overend ME, Tang L, Eaton JW: Biocompatibility of sulphonated polyurethane surfaces. Biomaterials. 1996 Oct;17(20):1987-94. doi: 10.1016/0142-9612(96)00005-1. [PubMed:8894093 ]
Eklund E, Roden L, Malmstrom M, Malmstrom A: Dermatan is a better substrate for 4-O-sulfation than chondroitin: implications in the generation of 4-O-sulfated, L-iduronate-rich galactosaminoglycans. Arch Biochem Biophys. 2000 Nov 15;383(2):171-7. doi: 10.1006/abbi.2000.2043. [PubMed:11185550 ]
Mateos-Trigos G, Evans RJ, Heath MF: Effects of P2Y(1) and P2Y(12) receptor antagonists on ADP-induced shape change of equine platelets: comparison with human platelets. Platelets. 2002 Aug-Sep;13(5-6):285-92. doi: 10.1080/0953710021000007258. [PubMed:12189014 ]
Al-Buheissi SZ, Patel HR, Meinl W, Hewer A, Bryan RL, Glatt H, Miller RA, Phillips DH: N-Acetyltransferase and sulfotransferase activity in human prostate: potential for carcinogen activation. Pharmacogenet Genomics. 2006 Jun;16(6):391-9. doi: 10.1097/01.fpc.0000204998.22301.09. [PubMed:16708048 ]

Showing metabocard for Adenosine phosphosulfate (MMDBc0029528)

MOL for #<Metabolite:0x00007f9ac3efe1a0>

3D MOL for #<Metabolite:0x00007f9ac3efe1a0>

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3D-SDF for #<Metabolite:0x00007f9ac3efe1a0>

PDB for #<Metabolite:0x00007f9ac3efe1a0>

3D PDB for #<Metabolite:0x00007f9ac3efe1a0>

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Structure for #<Metabolite:0x00007f9ac3efe1a0>

3D Structure for #<Metabolite:0x00007f9ac3efe1a0>