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 | PAMDB110482 |
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Identification |
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Name: |
1-(5-phospho-β-D-ribosyl)-ATP |
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Description: | A 1-(5-phospho-D-ribosyl)-ATP in which the 5-phospho-D-ribosyl residue has β-configuration at the anomeric centre. |
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Structure |
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Synonyms: | -
1-(5-phosphoribosyl)-ATP
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N1-(5-phospho-D-ribosyl)-ATP
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5-phosphoribosyl-ATP
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1-(5-phospho-D-ribosyl)-ATP
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phosphoribosyl-ATP
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Chemical Formula: |
C15H20N5O20P4
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Average Molecular Weight: |
714.24 |
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Monoisotopic Molecular
Weight: |
719.0043343105 |
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InChI Key: |
RKNHJBVBFHDXGR-KEOHHSTQSA-I |
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InChI: |
InChI=1S/C15H25N5O20P4/c16-12-7-13(18-4-19(12)14-10(23)8(21)5(37-14)1-35-41(25,26)27)20(3-17-7)15-11(24)9(22)6(38-15)2-36-43(31,32)40-44(33,34)39-42(28,29)30/h3-6,8-11,14-16,21-24H,1-2H2,(H,31,32)(H,33,34)(H2,25,26,27)(H2,28,29,30)/p-5/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1 |
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CAS
number: |
Not Available |
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IUPAC Name: | 1-(5-phospho-β-D-ribofuranosyl)adenosine 5'-(tetrahydrogen triphosphate) |
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Traditional IUPAC Name: |
6-amino-1-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}-9-{3,4-dihydroxy-5-[({hydroxy[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl}oxy)methyl]oxolan-2-yl}-1???purin-1-ylium |
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SMILES: | C(C4(C(C(C(N3(C(C2(=C(N(C1(C(C(C(O1)COP(OP(=O)([O-])OP(=O)([O-])O)(=O)[O-])O)O))C=N2)N=C3))=N))O4)O)O))OP([O-])([O-])=O |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of chemical entities known as purine ribonucleoside triphosphates. These are purine ribobucleotides with a triphosphate group linked to the ribose moiety. |
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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 | Purine nucleotides |
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Direct Parent |
Purine ribonucleoside triphosphates |
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Alternative Parents |
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Substituents |
- Purine ribonucleoside triphosphate
- Purine ribonucleoside monophosphate
- Pentose phosphate
- Pentose-5-phosphate
- Glycosyl compound
- N-glycosyl compound
- 6-aminopurine
- Monosaccharide phosphate
- Imidazopyrimidine
- Purine
- Aminopyrimidine
- Monoalkyl phosphate
- Alkyl phosphate
- Monosaccharide
- N-substituted imidazole
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Primary aromatic amine
- Pyrimidine
- Heteroaromatic compound
- Oxolane
- Azole
- Imidazole
- Secondary alcohol
- Oxacycle
- Organoheterocyclic compound
- Azacycle
- Organic oxygen compound
- Organooxygen compound
- Alcohol
- Hydrocarbon derivative
- Organic oxide
- Amine
- Organopnictogen compound
- Primary amine
- Organic nitrogen compound
- Organonitrogen compound
- Organic cation
- Aromatic heteropolycyclic compound
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Molecular Framework |
Aromatic heteropolycyclic compounds |
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External Descriptors |
Not Available |
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Physical Properties |
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State: |
Solid |
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Charge: | 0 |
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Melting point: |
Not Available |
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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 | -6.673 | 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: |
- superpathway of histidine, purine, and pyrimidine biosynthesisPRPP-PWY
- L-histidine biosynthesisHISTSYN-PWY
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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) |
Not Available |
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Links |
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External Links: |
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