| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:39:44 UTC |
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| Update Date | 2020-05-21 16:28:36 UTC |
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| BMDB ID | BMDB0001003 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Adenosine phosphosulfate |
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| Description | Adenosine phosphosulfate, also known as adenylylsulfate or adenosine sulfatophosphate, 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. Adenosine phosphosulfate is a strong basic compound (based on its pKa). Adenosine phosphosulfate exists in all living species, ranging from bacteria to humans. Within cattle, adenosine phosphosulfate participates in a number of enzymatic reactions. In particular, adenosine phosphosulfate can be biosynthesized from sulfate through its interaction with the enzyme bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2. In addition, adenosine phosphosulfate can be converted into phosphoadenosine phosphosulfate; which is catalyzed by the enzyme bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2. In cattle, adenosine phosphosulfate is involved in the metabolic pathway called the sulfate/sulfite metabolism pathway. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 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 |
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| Chemical Formula | C10H14N5O10PS |
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| Average Molecular Weight | 427.284 |
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| Monoisotopic Molecular Weight | 427.019898895 |
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| IUPAC Name | [({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]sulfonic acid |
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| Traditional Name | adenosine phosphosulfate |
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| CAS Registry Number | 485-84-7 |
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| SMILES | NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OS(O)(=O)=O)[C@@H](O)[C@H]1O |
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| 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 |
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| InChI Key | IRLPACMLTUPBCL-KQYNXXCUSA-N |
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| Chemical Taxonomy |
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| 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. |
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| Kingdom | Organic compounds |
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| Super Class | Nucleosides, nucleotides, and analogues |
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| Class | Purine nucleotides |
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| Sub Class | Purine ribonucleotides |
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| Direct Parent | Purine ribonucleoside monophosphates |
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| Alternative Parents | |
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| 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
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | |
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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