MiMeDB: Showing metabocard for Phosphoadenosine phosphosulfate (MMDBc0029568)

Microbial

Pharmaceutical

Xenobiotic

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:32:37 UTC

Update Date

2024-10-13 10:52:57 UTC

Metabolite ID

MMDBc0029568

Metabolite Identification

Common Name

Phosphoadenosine phosphosulfate

Description

3'-Phosphoadenosine-5'-phosphosulfate is a key intermediate in the formation by living cells of sulfate esters of phenols, alcohols, sulfated polysaccharides, and simple esters, such as choline sulfate. It is formed from a sulfate ion and ATP in a two-step process. This compound also is an important intermediate in the process of sulfur fixation in plants and microorganisms.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Molecular Formula

C₁₀H₁₅N₅O₁₃P₂S

Average Mass

507.264

Monoisotopic Mass

506.986229305

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

482-67-7

SMILES

Not Available

InChI Identifier

InChI=1S/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/t4-,6-,7-,10-/m1/s1

InChI Key

GACDQMDRPRGCTN-KQYNXXCUSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Not Available

Spectra

Not Available

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	638.0
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	515.2
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-23	56.6
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	288.1
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	364.7
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	225.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	599.6
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	974.6
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	927.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	140.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	536.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	156.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	36.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	536.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	839.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	70.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	229.3
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	591.1
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	559.8

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_1	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)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	1885.28
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_2	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]1OP(=O)(O)O	standard non polar	2025-10-23	1186.82
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_3	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O)OS(=O)(=O)O	standard non polar	2025-10-23	1558.98
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_4	C[Si](C)(C)OP(=O)(O)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	1527.43
Gas Chromatography	Phosphoadenosine 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](OP(=O)(O)O)[C@H]1O	standard non polar	2025-10-23	2162.11
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_6	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)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	2265.82
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_7	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[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	2031.92
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_8	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)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	1867.92
Gas Chromatography	Phosphoadenosine 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](OP(=O)(O)O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2006.1
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_10	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O)OS(=O)(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1457.15
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_11	C[Si](C)(C)OP(=O)(O)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	2735.4
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_12	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](OP(=O)(O)O)[C@H]1O	standard non polar	2025-10-23	909.89
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_13	C[Si](C)(C)OP(=O)(O)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	2262.94
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_14	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](OP(=O)(O)O)[C@H]1O	standard non polar	2025-10-23	1723.34
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_15	C[Si](C)(C)OP(=O)(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)O[Si](C)(C)C	standard non polar	2025-10-23	2033.37
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_16	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	2882.58
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_17	C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]1O)[Si](C)(C)C	standard non polar	2025-10-23	2498.05
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_18	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[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	1654.66
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_19	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)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	3249.71
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_20	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](OP(=O)(O)O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1890.07
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_21	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[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	2158.94
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_22	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[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	2052.87
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_23	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1921.54
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_24	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](OP(=O)(O)O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1936.3
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_25	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)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	1659.82
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_26	C[Si](C)(C)OP(=O)(O)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	2850.35
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_27	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](OP(=O)(O)O)[C@H]1O	standard non polar	2025-10-23	2704.93
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_28	C[Si](C)(C)OP(=O)(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)O[Si](C)(C)C	standard non polar	2025-10-23	1862.37
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_29	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](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	2070.73
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_30	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]1OP(=O)(O)O	standard non polar	2025-10-23	1640.62
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_31	C[Si](C)(C)OP(=O)(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)O[Si](C)(C)C	standard non polar	2025-10-23	2483.45
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_32	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](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	2642.38
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_33	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]1OP(=O)(O)O)OS(=O)(=O)O	standard non polar	2025-10-23	1779.45
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_34	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	2029.76
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_35	C[Si](C)(C)OP(=O)(O)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	2799.76
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_36	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[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	2225.0
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_37	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[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	1550.75
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_38	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](OP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2199.74
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_39	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](OP(=O)(O)O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1515.8
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_40	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)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	1871.51
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_41	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[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	1636.39
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_42	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1009.38
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_43	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](OP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2414.07
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_44	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[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	2636.99
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_45	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)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	3179.34
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_46	C[Si](C)(C)OP(=O)(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)O[Si](C)(C)C	standard non polar	2025-10-23	1850.0
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_47	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](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	2022.95
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_48	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]1OP(=O)(O)O)OS(=O)(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2768.73
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_49	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	1746.11
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_50	C[Si](C)(C)OP(=O)(O)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	2344.89
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_51	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	1892.1
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_52	C[Si](C)(C)OP(=O)(O)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	2411.58
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_53	C[Si](C)(C)OP(=O)(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)O[Si](C)(C)C	standard non polar	2025-10-23	2531.09
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_54	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[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	1681.41
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_55	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1828.85
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_56	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](OP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1742.86
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_57	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[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	1998.21
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_58	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)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	1933.79
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_59	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1380.01
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_60	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[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	1556.0
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_61	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[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	2468.71
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_62	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	1799.85
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_63	C[Si](C)(C)OP(=O)(O)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	1561.09
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_64	C[Si](C)(C)OP(=O)(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)O[Si](C)(C)C	standard non polar	2025-10-23	723.604
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_65	C[Si](C)(C)OP(=O)(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)O[Si](C)(C)C	standard non polar	2025-10-23	2082.05
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_1	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)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	2082.35
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_2	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]1OP(=O)(O)O	standard polar	2025-10-23	2626.96
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_3	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O)OS(=O)(=O)O	standard polar	2025-10-23	2726.82
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_4	C[Si](C)(C)OP(=O)(O)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	2473.95
Gas Chromatography	Phosphoadenosine 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](OP(=O)(O)O)[C@H]1O	standard polar	2025-10-23	2655.15
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_6	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)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	2112.61
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_7	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](COP(=O)(O)OS(=O)(=O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	standard polar	2025-10-23	1690.17
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_8	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)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	1551.82
Gas Chromatography	Phosphoadenosine 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](OP(=O)(O)O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	854.11
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_10	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O)OS(=O)(=O)O[Si](C)(C)C	standard polar	2025-10-23	1164.46
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_11	C[Si](C)(C)OP(=O)(O)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	1818.51
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_12	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](OP(=O)(O)O)[C@H]1O	standard polar	2025-10-23	2618.01
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_13	C[Si](C)(C)OP(=O)(O)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	2146.5
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_14	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](OP(=O)(O)O)[C@H]1O	standard polar	2025-10-23	2196.09
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_15	C[Si](C)(C)OP(=O)(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)O[Si](C)(C)C	standard polar	2025-10-23	1948.66
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_16	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	1905.28
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_17	C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]1O)[Si](C)(C)C	standard polar	2025-10-23	1611.84
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_18	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[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	2409.16
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_19	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)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	791.697
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_20	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](OP(=O)(O)O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	3333.16
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_21	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](COP(=O)(O)OS(=O)(=O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	standard polar	2025-10-23	2286.23
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_22	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[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	3132.03
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_23	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2249.29
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_24	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](OP(=O)(O)O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2062.22
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_25	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)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	2991.37
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_26	C[Si](C)(C)OP(=O)(O)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	3002.64
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_27	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](OP(=O)(O)O)[C@H]1O	standard polar	2025-10-23	2152.89
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_28	C[Si](C)(C)OP(=O)(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)O[Si](C)(C)C	standard polar	2025-10-23	2335.8
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_29	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](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	108.955
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_30	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]1OP(=O)(O)O	standard polar	2025-10-23	2717.04
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_31	C[Si](C)(C)OP(=O)(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)O[Si](C)(C)C	standard polar	2025-10-23	2202.24
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_32	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](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	2469.39
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_33	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]1OP(=O)(O)O)OS(=O)(=O)O	standard polar	2025-10-23	2560.37
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_34	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	1944.45
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_35	C[Si](C)(C)OP(=O)(O)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	1482.95
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_36	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[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	2664.78
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_37	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[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	2171.78
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_38	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](OP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2672.3
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_39	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](OP(=O)(O)O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	1241.56
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_40	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)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	1482.02
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_41	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[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	2998.46
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_42	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2353.18
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_43	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](OP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2676.53
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_44	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[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	1522.9
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_45	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)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	3042.64
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_46	C[Si](C)(C)OP(=O)(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)O[Si](C)(C)C	standard polar	2025-10-23	4394.42
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_47	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](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	1869.47
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_48	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]1OP(=O)(O)O)OS(=O)(=O)O[Si](C)(C)C	standard polar	2025-10-23	752.058
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_49	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	1736.84
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_50	C[Si](C)(C)OP(=O)(O)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	719.372
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_51	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	2531.9
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_52	C[Si](C)(C)OP(=O)(O)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	1852.49
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_53	C[Si](C)(C)OP(=O)(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)O[Si](C)(C)C	standard polar	2025-10-23	3177.86
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_54	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[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	3398.76
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_55	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	1456.02
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_56	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](OP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	462.246
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_57	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[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	2526.66
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_58	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)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	3219.67
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_59	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2236.84
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_60	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[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	1766.11
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_61	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[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	3184.71
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_62	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](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	2469.26
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_63	C[Si](C)(C)OP(=O)(O)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	973.51
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_64	C[Si](C)(C)OP(=O)(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)O[Si](C)(C)C	standard polar	2025-10-23	2333.85
Gas Chromatography	Phosphoadenosine phosphosulfate_TMS_65	C[Si](C)(C)OP(=O)(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)O[Si](C)(C)C	standard polar	2025-10-23	2560.81

Biological Properties

Cellular Locations

Golgi apparatus

Biospecimen Locations

Feces
Kidney
Liver
Platelet

Tissue Locations

Kidney
Liver
Platelet

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191790	Ectonucleotide pyrophosphatase/phosphodiesterase family member 1	Unknown	P22413	Homo sapiens
MMDBp0191865	Ectonucleotide pyrophosphatase/phosphodiesterase family member 3	Unknown	O14638	Homo sapiens
MMDBp0191956	Carbohydrate sulfotransferase 11	Enzyme	Q9NPF2	Homo sapiens
MMDBp0191957	Carbohydrate sulfotransferase 3	Enzyme	Q7LGC8	Homo sapiens
MMDBp0191958	Carbohydrate sulfotransferase 13	Enzyme	Q8NET6	Homo sapiens
MMDBp0191959	Carbohydrate sulfotransferase 12	Enzyme	Q9NRB3	Homo sapiens
MMDBp0191988	Galactosylceramide sulfotransferase	Enzyme	Q99999	Homo sapiens
MMDBp0192008	Heparan sulfate glucosamine 3-O-sulfotransferase 3B1	Enzyme	Q9Y662	Homo sapiens
MMDBp0192009	Heparan sulfate glucosamine 3-O-sulfotransferase 3A1	Enzyme	Q9Y663	Homo sapiens
MMDBp0192010	Sulfotransferase 1A1	Enzyme	P50225	Homo sapiens
MMDBp0192011	3'(2'),5'-bisphosphate nucleotidase 1	Unknown	O95861	Homo sapiens
MMDBp0192012	Heparan sulfate glucosamine 3-O-sulfotransferase 1	Enzyme	O14792	Homo sapiens
MMDBp0192013	Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1	Enzyme	O43252	Homo sapiens
MMDBp0192014	Estrogen sulfotransferase	Enzyme	P49888	Homo sapiens
MMDBp0192015	Bile salt sulfotransferase	Enzyme	Q06520	Homo sapiens
MMDBp0192016	Carbohydrate sulfotransferase 1	Enzyme	O43916	Homo sapiens
MMDBp0192017	Heparan sulfate glucosamine 3-O-sulfotransferase 4	Enzyme	Q9Y661	Homo sapiens
MMDBp0192018	Sulfotransferase 1A2	Enzyme	P50226	Homo sapiens
MMDBp0192019	Heparan sulfate glucosamine 3-O-sulfotransferase 5	Enzyme	Q8IZT8	Homo sapiens
MMDBp0192020	Heparan sulfate glucosamine 3-O-sulfotransferase 2	Enzyme	Q9Y278	Homo sapiens
MMDBp0192021	Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2	Enzyme	O95340	Homo sapiens
MMDBp0192022	Protein-tyrosine sulfotransferase 2	Enzyme	O60704	Homo sapiens
MMDBp0192023	Sulfotransferase family cytosolic 2B member 1	Enzyme	O00204	Homo sapiens
MMDBp0192024	Sulfotransferase 1A3/1A4	Enzyme	P50224	Homo sapiens
MMDBp0192354	Carbohydrate sulfotransferase 7	Enzyme	Q9NS84	Homo sapiens
MMDBp0193585	Carbohydrate sulfotransferase 14	Enzyme	Q8NCH0	Homo sapiens
MMDBp0193759	Heparan-sulfate 6-O-sulfotransferase 1	Enzyme	O60243	Homo sapiens
MMDBp0193799	Heparan-sulfate 6-O-sulfotransferase 2	Enzyme	Q96MM7	Homo sapiens
MMDBp0193884	Adenosine 3'-phospho 5'-phosphosulfate transporter 1	Enzyme	Q8TB61	Homo sapiens
MMDBp0193903	Heparan-sulfate 6-O-sulfotransferase 3	Enzyme	Q8IZP7	Homo sapiens
MMDBp0194055	Carbohydrate sulfotransferase 15	Enzyme	Q7LFX5	Homo sapiens
MMDBp0195499	Inositol monophosphatase 3	Unknown	Q9NX62	Homo sapiens
MMDBp0196020	Tyrosylprotein sulfotransferase 1	Enzyme	A4D2M0	Homo sapiens
MMDBp0196349	Adenosine 3'-phospho 5'-phosphosulfate transporter 2	Unknown	Q9H1N7	Homo sapiens
MMDBp0196847	Heparan sulfate glucosamine 3-O-sulfotransferase 6	Unknown	Q96QI5
MMDBp0196907	Bifunctional heparan sulfate N-deacetylase/N-sulfotransferase 1	Unknown	P52848
MMDBp0196908	Bifunctional heparan sulfate N-deacetylase/N-sulfotransferase 2	Unknown	P52849
MMDBp0196909	Bifunctional heparan sulfate N-deacetylase/N-sulfotransferase 3	Unknown	O95803
MMDBp0196910	Bifunctional heparan sulfate N-deacetylase/N-sulfotransferase 4	Unknown	Q9H3R1
MMDBp0196981	Sulfotransferase 1C3	Unknown	Q6IMI6
MMDBp0196982	Sulfotransferase 6B1	Unknown	Q6IMI4
MMDBp0196995	Protein-tyrosine sulfotransferase 1	Unknown	O60507

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
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
Sulfur Metabolism (Isethionate)		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
MMDBr0018243	Phosphoadenosine phosphosulfate	Adenosine 3',5'-diphosphate	Phosphoadenosine 5'-phosphosulfate reductase	Reduction	PathBank	31602464
MMDBr0018244	Adenosine phosphosulfate	Phosphoadenosine phosphosulfate	Adenylyl-sulfate kinase	Phosphorylation	PathBank	31602464
MMDBr0018551	Phosphoadenosine phosphosulfate	Adenosine phosphosulfate	3'(2'),5'-bisphosphate nucleotidase CysQ	Hydrolysis of nucleotide	PathBank	31602464
MMDBr0019930	Adenosine phosphosulfate	Phosphoadenosine phosphosulfate	Adenylyl-sulfate kinase	Phosphorylation	PathBank	31602464
MMDBr0019931	Phosphoadenosine phosphosulfate	Adenosine phosphosulfate	Unknown Protein		PathBank	31602464
MMDBr0019932	Phosphoadenosine phosphosulfate	Adenosine 3',5'-diphosphate	Phosphoadenosine phosphosulfate reductase	Reduction	PathBank	31602464
MMDBr0024392	L-Cystine	L-Cysteine	Phosphoadenosine 5'-phosphosulfate reductase	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	4	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human feces; pleural fluid plaque; bal; River trout ; Human subgingival plaque	Unknown; Metabolic reconstruction
Bacteria/Eubacteria	Proteobacteria	221	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human feces; pleural fluid plaque; bal; River trout ; Human subgingival plaque	Unknown; Metabolic reconstruction
Bacteria/Eubacteria	Actinobacteria	44	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	Metabolic reconstruction
Bacteria/Eubacteria	Verrucomicrobia	1	Human ; Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Bacteroidetes	81	Human feces; Human ; Human saliva; Human gastric fluid; Human urine; Human supragingival plaque; Human subgingival plaque	Metabolic reconstruction
Bacteria/Eubacteria	Firmicutes	98	Human feces; Human ; Human subgingival plaque	Metabolic reconstruction
Archaea	Thaumarchaeota	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
Bacteria/Eubacteria	Cyanobacteria	9	Human
Archaea/Archaea	Crenarchaeota	1		Metabolic reconstruction
Archaea/Archaea	Euryarchaeota	2
Bacteria/Eubacteria	Chloroflexi	1
Bacteria/Eubacteria	Deinococcus-thermus	3
Bacteria	nah	1
Bacteria/Eubacteria	Nitrospirae	1
Eukaryota/Fungi	Ascomycota	7	Human feces; Human saliva	Unknown
Bacteria/Eubacteria	Aquificae	1
Bacteria	Actinobacteria	2	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	Metabolic reconstruction

Exposure Sources

Other Exposures

Source Type	Data Source	Reference
Drugs - Antimicrobial	U.S. Environmental Protection Agency	CompTox
Cosmetics	U.S. Environmental Protection Agency	CompTox
Domestics	U.S. Environmental Protection Agency	CompTox

Host Biospecimen and Location

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

External Links

HMDB ID

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DrugBank ID

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Phenol Explorer Compound ID

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FooDB ID

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KNApSAcK ID

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Chemspider ID

Not Available

KEGG Compound ID

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BioCyc ID

Not Available

BiGG ID

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Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

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General References

Wong KP, Khoo BY, Sit KH: Biosynthesis of PAPS in vitro by human liver. Measurement by two independent assay procedures. Biochem Pharmacol. 1991 Jan 1;41(1):63-9. doi: 10.1016/0006-2952(91)90011-s. [PubMed:1846073 ]
Cappiello M, Franchi M, Rane A, Pacifici GM: Sulphotransferase and its substrate: adenosine-3'-phosphate-5'-phosphosulphate in human fetal liver and placenta. Dev Pharmacol Ther. 1990;14(1):62-5. [PubMed:2311482 ]
Cappiello M, Franchi M, Giuliani L, Pacifici GM: Distribution of 2-naphthol sulphotransferase and its endogenous substrate adenosine 3'-phosphate 5'-phosphosulphate in human tissues. Eur J Clin Pharmacol. 1989;37(3):317-20. doi: 10.1007/BF00679793. [PubMed:2612547 ]
Khoo BY, Sit KH, Wong KP: Does PAPS generation determine the overall sulfate conjugation in human platelets? Life Sci. 1988;42(23):2389-95. doi: 10.1016/0024-3205(88)90193-2. [PubMed:3131608 ]
Carlier M, Squifflet JP, Pirson Y, Gribomont B, Alexandre GP: Maximal hydration during anesthesia increases pulmonary arterial pressures and improves early function of human renal transplants. Transplantation. 1982 Oct;34(4):201-4. doi: 10.1097/00007890-198210000-00008. [PubMed:6755828 ]
Suarez IM, Diaz RA, Aguayo Canela D, Pujol de la Llave E: Correction of severe thrombocytopenia with chloroquine in the primary antiphospholipid syndrome. Lupus. 1996 Feb;5(1):81-3. doi: 10.1177/096120339600500116. [PubMed:8646233 ]
Fanelli A, Bergamini C, Rapi S, Caldini A, Spinelli A, Buggiani A, Emmi L: Flow cytometric detection of circulating activated platelets in primary antiphospholipid syndrome. Correlation with thrombocytopenia and anticardiolipin antibodies. Lupus. 1997;6(3):261-7. doi: 10.1177/096120339700600309. [PubMed:9104734 ]
Emmi L, Bergamini C, Spinelli A, Liotta F, Marchione T, Caldini A, Fanelli A, De Cristofaro MT, Dal Pozzo G: Possible pathogenetic role of activated platelets in the primary antiphospholipid syndrome involving the central nervous system. Ann N Y Acad Sci. 1997 Aug 14;823:188-200. doi: 10.1111/j.1749-6632.1997.tb48391.x. [PubMed:9292045 ]
Joseph JE, Harrison P, Mackie IJ, Isenberg DA, Machin SJ: Increased circulating platelet-leucocyte complexes and platelet activation in patients with antiphospholipid syndrome, systemic lupus erythematosus and rheumatoid arthritis. Br J Haematol. 2001 Nov;115(2):451-9. doi: 10.1046/j.1365-2141.2001.03101.x. [PubMed:11703349 ]

Showing metabocard for Phosphoadenosine phosphosulfate (MMDBc0029568)

MOL for #<Metabolite:0x00007f9acc6c99b8>

3D MOL for #<Metabolite:0x00007f9acc6c99b8>

3D SDF for #<Metabolite:0x00007f9acc6c99b8>

3D-SDF for #<Metabolite:0x00007f9acc6c99b8>

PDB for #<Metabolite:0x00007f9acc6c99b8>

3D PDB for #<Metabolite:0x00007f9acc6c99b8>

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INCHI for #<Metabolite:0x00007f9acc6c99b8>

Structure for #<Metabolite:0x00007f9acc6c99b8>

3D Structure for #<Metabolite:0x00007f9acc6c99b8>