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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 12:54:54 PM |
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Metabolite ID | PAMDB120381 |
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Identification |
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| Name: |
adenosine 3'-monophosphate |
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| Description: | The organophosphate oxoanion which results from the removal of two protons from the phosphate group of 3'-AMP; major species at pH 7.3. |
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Structure |
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| Synonyms: | - 3'-adenylate
- 3'-AMP
- adenine-3'-monophosphate (2-)
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Chemical Formula: |
C10H12N5O7P |
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| Average Molecular Weight: |
345.208 |
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| Monoisotopic Molecular
Weight: |
347.06308 |
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| InChI Key: |
LNQVTSROQXJCDD-KQYNXXCUSA-L |
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| InChI: | InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1 |
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| CAS
number: |
84-21-9 |
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| IUPAC Name: | 3'-O-phosphonatoadenosine |
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Traditional IUPAC Name: |
adenosine-3'-phosphate |
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| SMILES: | C3(N=C2(N(C1(C(C(C(O1)CO)OP([O-])([O-])=O)O))C=NC2=C(N=3)N)) |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of chemical entities known as ribonucleoside 3'-phosphates. These are ribonucleosides that contain a phosphate group attached to the C-3 carbon of the ribose or deoxyribose moiety. The nucleobases here are limited to purine, pyrimidine, and pyridine derivatives. |
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Kingdom |
Chemical entities |
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| Super Class | Organic compounds |
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Class |
Nucleosides, nucleotides, and analogues |
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| Sub Class | Ribonucleoside 3'-phosphates |
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Direct Parent |
Ribonucleoside 3'-phosphates |
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| Alternative Parents |
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| Substituents |
- Ribonucleoside 3'-phosphate
- Pentose phosphate
- Glycosyl compound
- N-glycosyl compound
- 6-aminopurine
- Monosaccharide phosphate
- Pentose monosaccharide
- Imidazopyrimidine
- Purine
- Aminopyrimidine
- Monoalkyl phosphate
- Monosaccharide
- N-substituted imidazole
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Primary aromatic amine
- Pyrimidine
- Alkyl phosphate
- Imidolactam
- Oxolane
- Azole
- Imidazole
- Heteroaromatic compound
- Secondary alcohol
- Azacycle
- Oxacycle
- Organoheterocyclic compound
- Organic oxide
- Organic nitrogen compound
- Alcohol
- Hydrocarbon derivative
- Amine
- Primary alcohol
- Primary amine
- Organonitrogen compound
- Organooxygen compound
- Organic oxygen compound
- Organopnictogen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework |
Aromatic heteropolycyclic compounds |
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| External Descriptors |
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Physical Properties |
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| State: |
Solid |
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| Charge: | -2 |
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Melting point: |
197 °C |
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| Experimental Properties: |
| Property | Value | Reference |
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| Melting Point | 197 °C | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | 500 mg/L at 15 °C | Not Available | | LogP | -1.453 | Not Available |
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| Predicted Properties |
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Biological Properties |
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| Cellular Locations: |
Not Available |
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| Reactions: | |
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Pathways: |
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Spectra |
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| Spectra: |
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References |
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| References: |
Not Available |
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| Synthesis Reference: |
Not Available |
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| Material Safety Data Sheet (MSDS) |
Download (PDF) |
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Links |
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| External Links: |
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