| Record Information |
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| Version | 4.0 |
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| Status | Expected but not Quantified |
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| Creation Date | 2008-08-12 13:30:00 UTC |
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| Update Date | 2017-12-20 20:28:44 UTC |
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| HMDB ID | HMDB0006806 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Propinol adenylate |
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| Description | Propinol adenylate is involved in the propanoate metabolism pathway. Propinol adenylate can be reversibly produced from propanoate or propanoyl-CoA by acetyl-CoA synthetase [EC:6.2.1.1] and propionyl-CoA synthetase [EC:6.2.1.17]. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 5'-Adenylic acid propanoic acid anhydride | ChEBI | | 5'-Adenylic acid propionic acid anhydride | ChEBI | | 5'-O-[Hydroxy(propionyloxy)phosphoryl]adenosine | ChEBI | | Propanoyl-adenosine monophosphate | ChEBI | | Propionyl-adenosine monophosphate | ChEBI | | Propionyl-AMP | ChEBI | | Propionyladenylate | ChEBI | | 5'-Adenylate propanoate anhydride | Generator | | Propinol adenylic acid | Generator | | 5'-Adenylate propionate anhydride | Generator | | Propanoyl-adenosine monophosphoric acid | Generator | | Propionyl-adenosine monophosphoric acid | Generator | | Propionyladenylic acid | Generator |
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| Chemical Formula | C13H18N5O8P |
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| Average Molecular Weight | 403.2845 |
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| Monoisotopic Molecular Weight | 403.089299089 |
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| IUPAC Name | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(propanoyloxy)phosphinic acid |
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| Traditional Name | propionyl-AMP |
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| CAS Registry Number | Not Available |
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| SMILES | CCC(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N |
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| InChI Identifier | InChI=1S/C13H18N5O8P/c1-2-7(19)26-27(22,23)24-3-6-9(20)10(21)13(25-6)18-5-17-8-11(14)15-4-16-12(8)18/h4-6,9-10,13,20-21H,2-3H2,1H3,(H,22,23)(H2,14,15,16)/t6-,9-,10-,13-/m1/s1 |
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| InChI Key | ZGNGGJLVZZHLQM-ZRFIDHNTSA-N |
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| Chemical Taxonomy |
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| Description | This compound belongs to the class of organic compounds known as 5'-acylphosphoadenosines. These are ribonucleoside derivatives containing an adenoside moiety, where the phosphate group is acylated. |
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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 | 5'-acylphosphoadenosines |
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| Alternative Parents | |
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| Substituents | - 5'-acylphosphoadenosine
- Pentose phosphate
- Pentose-5-phosphate
- N-glycosyl compound
- Glycosyl compound
- 6-aminopurine
- Pentose monosaccharide
- Monosaccharide phosphate
- Imidazopyrimidine
- Purine
- Acyl phosphate
- Monoalkyl phosphate
- Aminopyrimidine
- Imidolactam
- Alkyl phosphate
- Monosaccharide
- Pyrimidine
- N-substituted imidazole
- Phosphoric acid ester
- Organic phosphoric acid derivative
- Imidazole
- Tetrahydrofuran
- Heteroaromatic compound
- Azole
- 1,2-diol
- Amino acid or derivatives
- Carboxylic acid salt
- Secondary alcohol
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Organoheterocyclic compound
- Azacycle
- Oxacycle
- Organonitrogen compound
- Hydrocarbon derivative
- Organic oxygen compound
- Organic salt
- Carbonyl group
- Organic oxide
- Organopnictogen compound
- Organic nitrogen compound
- Amine
- Alcohol
- Primary amine
- Organooxygen compound
- 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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| Disposition | Source: |
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| Process | Naturally occurring process: |
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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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