Record Information |
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Version | 1.0 |
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Creation Date | 2016-09-30 23:08:34 UTC |
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Update Date | 2020-05-21 16:28:30 UTC |
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BMDB ID | BMDB0004220 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Biotinyl-5'-AMP |
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Description | Biotinyl-5'-AMP, also known as b-AMP or bio-5-AMP, 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. Biotinyl-5'-AMP is possibly soluble (in water) and a strong basic compound (based on its pKa). Biotinyl-5'-AMP exists in all living organisms, ranging from bacteria to humans. In cattle, biotinyl-5'-AMP is involved in the metabolic pathway called the biotin metabolism pathway. |
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Structure | |
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Synonyms | Value | Source |
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(+)-Biotinyl 5'-adenylate | HMDB | 5'-Adenylic acid anhydride with biotin | HMDB | 5'-Adenylic acid monoanhydride with biotin | HMDB | b-AMP | HMDB | beta-AMP | HMDB | Bio-5-AMP | HMDB | Biotin anhydride with 5'-adenylic acid | HMDB | Biotinoyl 5'-adenylate | HMDB | Biotinyl 5'-AMP | HMDB | [3AS-(3aa,4b,6aa)]-5'-adenylic acid monoanhydride with hexahydro-2-oxo-1H-thieno[3,4-D]imidazole-4-pentanoate | HMDB | [3AS-(3aa,4b,6aa)]-5'-adenylic acid monoanhydride with hexahydro-2-oxo-1H-thieno[3,4-D]imidazole-4-pentanoic acid | HMDB |
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Chemical Formula | C20H28N7O9PS |
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Average Molecular Weight | 573.517 |
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Monoisotopic Molecular Weight | 573.140682731 |
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IUPAC Name | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({5-[(4S)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]pentanoyl}oxy)phosphinic acid |
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Traditional Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy({5-[(4S)-2-oxo-hexahydrothieno[3,4-d]imidazolidin-4-yl]pentanoyl}oxy)phosphinic acid |
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CAS Registry Number | 4130-20-5 |
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SMILES | NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OC(=O)CCCC[C@@H]2SCC3NC(=O)NC23)[C@@H](O)[C@H]1O |
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InChI Identifier | InChI=1S/C20H28N7O9PS/c21-17-14-18(23-7-22-17)27(8-24-14)19-16(30)15(29)10(35-19)5-34-37(32,33)36-12(28)4-2-1-3-11-13-9(6-38-11)25-20(31)26-13/h7-11,13,15-16,19,29-30H,1-6H2,(H,32,33)(H2,21,22,23)(H2,25,26,31)/t9?,10-,11+,13?,15-,16-,19-/m1/s1 |
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InChI Key | UTQCSTJVMLODHM-CFYKWCKVSA-N |
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Chemical Taxonomy |
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Description | 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
- Biotin_derivative
- Biotin
- Pentose phosphate
- Pentose-5-phosphate
- Glycosyl compound
- N-glycosyl compound
- 6-aminopurine
- Monosaccharide phosphate
- Pentose monosaccharide
- Imidazopyrimidine
- Purine
- Thienoimidazolidine
- Acyl phosphate
- Aminopyrimidine
- Monoalkyl phosphate
- Imidazolidinone
- Imidolactam
- Monosaccharide
- N-substituted imidazole
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Alkyl phosphate
- Pyrimidine
- Thiophene
- Thiolane
- Tetrahydrofuran
- Azole
- Imidazole
- Imidazolidine
- Heteroaromatic compound
- Amino acid or derivatives
- Carbonic acid derivative
- Urea
- Secondary alcohol
- 1,2-diol
- Carboxylic acid salt
- Dialkylthioether
- Oxacycle
- Azacycle
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Thioether
- Organoheterocyclic compound
- Primary amine
- Hydrocarbon derivative
- Carbonyl group
- Organic oxygen compound
- Organic nitrogen compound
- Organic salt
- Organonitrogen compound
- Organooxygen compound
- Organopnictogen compound
- Organic oxide
- Alcohol
- Amine
- 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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