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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 11:54:54 AM |
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Metabolite ID | PAMDB004367 |
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Identification |
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| Name: |
L-Threonylcarbamoyladenylate |
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| Description: | A threonine derivative that is L-threonine in which one of the amino hydrogens is substituted by and adenyloxycarbonyl group |
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Structure |
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| Synonyms: | - L-Threonylcarbamoyl-AMP
- L-Threonylcarbamoyladenylic acid
- N-(Adenyloxycarbonyl)-L-threnine
- TC-AMP
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Chemical Formula: |
C15H21N6O11P |
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| Average Molecular Weight: |
492.3346 |
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| Monoisotopic Molecular
Weight: |
492.100592056 |
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| InChI Key: |
GHLUPQUHEIJRCU-DWVDDHQFSA-N |
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| InChI: | InChI=1S/C15H21N6O11P/c1-5(22)7(14(25)26)20-15(27)32-33(28,29)30-2-6-9(23)10(24)13(31-6)21-4-19-8-11(16)17-3-18-12(8)21/h3-7,9-10,13,22-24H,2H2,1H3,(H,20,27)(H,25,26)(H,28,29)(H2,16,17,18)/t5-,6-,7+,9-,10-,13-/m1/s1 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | (2S,3R)-2-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)methylidene}amino)-3-hydroxybutanoic acid |
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Traditional IUPAC Name: |
(2S,3R)-2-{[({[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)(hydroxy)methylidene]amino}-3-hydroxybutanoic acid |
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| SMILES: | [H][C@](C)(O)[C@]([H])(N=C(O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O)C(O)=O |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached. |
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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 |
Purine ribonucleoside monophosphates |
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| Alternative Parents |
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| Substituents |
- Purine ribonucleoside monophosphate
- Purine nucleoside
- Pentose phosphate
- Pentose-5-phosphate
- N-glycosyl compound
- Glycosyl compound
- Monosaccharide phosphate
- 6-aminopurine
- Alpha-amino acid or derivatives
- Imidazopyrimidine
- Purine
- Beta-hydroxy acid
- Monoalkyl phosphate
- Sugar acid
- Monosaccharide
- N-substituted imidazole
- Organic phosphate
- Organic phosphoric acid derivative
- Hydroxy acid
- Phosphoric acid ester
- Imidolactam
- Alkyl phosphate
- Pyrimidine
- Azole
- Imidazole
- Tetrahydrofuran
- Heteroaromatic compound
- Amino acid or derivatives
- Amino acid
- 1,2-diol
- Secondary alcohol
- Oxacycle
- Azacycle
- Organoheterocyclic compound
- Organic 1,3-dipolar compound
- Carboximidic acid derivative
- Carboxylic acid derivative
- Carboxylic acid
- Propargyl-type 1,3-dipolar organic compound
- Monocarboxylic acid or derivatives
- Carbonyl group
- Amine
- Hydrocarbon derivative
- Alcohol
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Organic oxide
- 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: |
Not Available |
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| Charge: | -2 |
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Melting point: |
Not Available |
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| Experimental Properties: |
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| Predicted Properties |
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Biological Properties |
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| Cellular Locations: |
Cytoplasm |
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| Reactions: | |
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Pathways: |
Not Available |
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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: |
| Resource | Link |
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| CHEBI ID | 73687 | | HMDB ID | Not Available | | Pubchem Compound ID | 56835784 | | Kegg ID | C20641 | | ChemSpider ID | 28639397 | | Wikipedia ID | Not Available | | BioCyc ID | Not Available |
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