| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:07:59 UTC |
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| Update Date | 2020-05-21 16:28:22 UTC |
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| BMDB ID | BMDB0004112 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Adenylylselenate |
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| Description | Adenylylselenate 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. Adenylylselenate is possibly soluble (in water) and a strong basic compound (based on its pKa). Adenylylselenate exists in all living organisms, ranging from bacteria to humans. Adenylylselenate participates in a number of enzymatic reactions, within cattle. In particular, Adenylylselenate can be biosynthesized from selenic acid; which is mediated by the enzyme bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1. In addition, Adenylylselenate can be converted into 3-phosphoadenylylselenate through the action of the enzyme bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1. In cattle, adenylylselenate is involved in the metabolic pathway called the selenoamino acid metabolism pathway. |
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| Structure | |
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| Synonyms | | Value | Source |
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| Adenosine-5'-phosphoselenate | ChEBI | | Adenosine-5'-phosphoselenic acid | Generator | | Adenylylselenic acid | Generator | | APSe | HMDB | | Adenosine 5'-phosphoselenate | HMDB | | Adenosine 5’-phosphoselenate | HMDB | | Adenosine phosphoselenate | HMDB | | Adenosine-5’-phosphoselenate | HMDB | | Adenylyl selenate | HMDB | | Adenylyl-selenate | HMDB | | Adenylylselenate | HMDB |
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| Chemical Formula | C10H14N5O10PSe |
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| Average Molecular Weight | 474.18 |
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| Monoisotopic Molecular Weight | 474.964350033 |
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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]selenonic acid |
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| Traditional Name | adenylylselenate |
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| CAS Registry Number | Not Available |
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| SMILES | NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)O[Se](O)(=O)=O)[C@@H](O)[C@H]3O)C2=NC=N1 |
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| InChI Identifier | InChI=1S/C10H14N5O10PSe/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 | XCADVMZZFPIERR-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 selenate
- Organic phosphoric acid derivative
- Tetrahydrofuran
- Heteroaromatic compound
- Azole
- Imidazole
- 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 | Not Available |
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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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