| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-10-03 18:21:44 UTC |
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| Update Date | 2020-05-11 20:42:29 UTC |
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| BMDB ID | BMDB0011616 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Adenosine 2',3'-cyclic phosphate |
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| Description | Adenosine 2',3'-cyclic phosphate belongs to the class of organic compounds known as 2',3'-cyclic purine nucleotides. These are purine nucleotides in which the oxygen atoms linked to the C2 and C3 carbon atoms of the ribose moiety are both bonded the same phosphorus atom of the phosphate group. Adenosine 2',3'-cyclic phosphate is a strong basic compound (based on its pKa). |
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| Structure | |
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| Synonyms | | Value | Source |
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| Adenosine 2',3'-cyclic phosphoric acid | Generator |
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| Chemical Formula | C10H12N5O6P |
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| Average Molecular Weight | 329.2059 |
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| Monoisotopic Molecular Weight | 329.052519653 |
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| IUPAC Name | (4S)-4-(6-amino-9H-purin-9-yl)-2-hydroxy-6-(hydroxymethyl)-tetrahydro-2H-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-2-one |
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| Traditional Name | (4S)-4-(6-aminopurin-9-yl)-2-hydroxy-6-(hydroxymethyl)-tetrahydro-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-2-one |
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| CAS Registry Number | Not Available |
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| SMILES | [H]C1(CO)O[C@]([H])(N2C=NC3=C(N)N=CN=C23)C2([H])OP(O)(=O)OC12[H] |
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| InChI Identifier | InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)19-10)20-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4?,6?,7?,10-/m0/s1 |
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| InChI Key | KMYWVDDIPVNLME-TVOLHPCASA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as 2',3'-cyclic purine nucleotides. These are purine nucleotides in which the oxygen atoms linked to the C2 and C3 carbon atoms of the ribose moiety are both bonded the same phosphorus atom of the phosphate group. |
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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 | Cyclic purine nucleotides |
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| Direct Parent | 2',3'-cyclic purine nucleotides |
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| Alternative Parents | |
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| Substituents | - 2',3'-cyclic purine ribonucleotide
- Ribonucleoside 3'-phosphate
- 6-aminopurine
- Purine
- Imidazopyrimidine
- Aminopyrimidine
- Imidolactam
- Pyrimidine
- Organic phosphoric acid derivative
- N-substituted imidazole
- Monosaccharide
- Heteroaromatic compound
- Tetrahydrofuran
- Imidazole
- 1,3_dioxaphospholane
- Azole
- Oxacycle
- Azacycle
- Organoheterocyclic compound
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Primary amine
- Primary alcohol
- Organooxygen compound
- Organonitrogen compound
- Amine
- Alcohol
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | Not Available |
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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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