3′-Phosphoadenosine 5′-phosphosulfate
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3′-Phosphoadenosine 5′-phosphosulfate
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CAS No:
482-67-7
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Formula:
C10H15N5O13P2S
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Chemical Name:
3′-Phosphoadenosine 5′-phosphosulfate
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Synonyms:
3′-Adenylic acid,5′-(dihydrogen phosphate),5′-anhydride with sulfuric acid;Adenosine,3′,5′-bis(dihydrogen phosphate),5′-monoanhydride with sulfuric acid;Adenosine 3′,5′-diphosphate,5′-anhydride with sulfuric acid;Adenosine 3′-phosphate 5′-phosphosulfate;PAPS;3′-Phosphoadenosine 5′-phosphosulfate;3′-Phosphoadenylyl sulfate;5′-Adenylyl sulfate 3′-phosphate;Adenosine 3′-phosphate 5′-sulfatophosphate;Adenosine 5′-phosphosulfate 3′-phosphate;PAPS (nucleotide)
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CAS No:
Description
Solid
3'-phospho-5'-adenylyl sulfate is an adenosine bisphosphate having monophosphate groups at the 3'- and 5'-positions and a sulfo group attached to the phosphate at position 5'. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is an adenosine bisphosphate, an acyl sulfate and a purine ribonucleoside bisphosphate. It derives from a 5'-adenylyl sulfate and an adenosine 3',5'-bismonophosphate. It is a conjugate acid of a 3'-phosphonato-5'-adenylyl sulfate(4-).|3'-phospho-5'-adenylyl sulfate is a key intermediate in the formation by living cells of sulfate esters of phenols, alcohols, steroids, sulfated polysaccharides, and simple esters, such as choline sulfate. It is formed from sulfate ion and ATP in a two-step process. This compound also is an important step in the process of sulfur fixation in plants and microorganisms.|3'-Phosphoadenosine-5'-phosphosulfate. Key intermediate in the formation by living cells of sulfate esters of phenols, alcohols, steroids, sulfated polysaccharides, and simple esters, such as choline sulfate. It is formed from sulfate ion and ATP in a two-step process. This compound also is an important step in the process of sulfur fixation in plants and microorganisms.
Characteristics
284
0.71510
Solid
192.76 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]
Computed Properties
Molecular Weight:507.27
XLogP3:-5
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:8
Exact Mass:506.98623072
Monoisotopic Mass:506.98623072
Topological Polar Surface Area:284
Heavy Atom Count:31
Complexity:852
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3′-Phosphoadenosine 5′-phosphosulfate
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