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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 | PAMDB120055 |
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Identification |
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| Name: |
dIDP |
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| Description: | A 2'-deoxyribonucleoside 5'-diphosphate obtained by deprotonation of the diphosphate OH groups of 2'-deoxyinosine 5'-diphosphate; major species at pH 7.3. |
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Structure |
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| Synonyms: | - 2'-deoxyinosine-5'-diphosphate
- deoxyinosine diphosphate
- deoxyinosine diphosphate(3−)
- dIDP
- dIDP
- dIDP(3−)
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Chemical Formula: |
C10H11N4O10P2 |
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| Average Molecular Weight: |
409.165 |
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| Monoisotopic Molecular
Weight: |
412.01852 |
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| InChI Key: |
BKUSIKGSPSFQAC-RRKCRQDMSA-K |
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| InChI: | InChI=1S/C10H14N4O10P2/c15-5-1-7(14-4-13-8-9(14)11-3-12-10(8)16)23-6(5)2-22-26(20,21)24-25(17,18)19/h3-7,15H,1-2H2,(H,20,21)(H,11,12,16)(H2,17,18,19)/p-3/t5-,6+,7+/m0/s1 |
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| CAS
number: |
26575-15-5 |
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| IUPAC Name: | 2'-deoxy-5'-O-[(phosphonatooxy)phosphinato]inosine |
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Traditional IUPAC Name: |
2'-deoxyinosine |
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| SMILES: | C(OP(=O)([O-])OP(=O)([O-])[O-])C1(OC(CC(O)1)N3(C=NC2(C(=O)NC=NC=23))) |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of chemical entities known as purine 2'-deoxyribonucleoside diphosphates. These are purine nucleotides with diphosphate group linked to the ribose moiety lacking a hydroxyl group at position 2. |
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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 2'-deoxyribonucleoside diphosphates |
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| Alternative Parents |
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| Substituents |
- Purine 2'-deoxyribonucleoside diphosphate
- 6-oxopurine
- Hypoxanthine
- Organic pyrophosphate
- Imidazopyrimidine
- Purine
- Pyrimidone
- Monoalkyl phosphate
- N-substituted imidazole
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Pyrimidine
- Alkyl phosphate
- Azole
- Heteroaromatic compound
- Vinylogous amide
- Oxolane
- Imidazole
- Secondary alcohol
- Oxacycle
- Organoheterocyclic compound
- Azacycle
- Hydrocarbon derivative
- Alcohol
- Organic nitrogen compound
- Organopnictogen compound
- Organic oxide
- Organonitrogen compound
- Organic oxygen compound
- Organooxygen 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: |
Liquid |
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| Charge: | -3 |
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Melting point: |
-45.6 °C |
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| Experimental Properties: |
| Property | Value | Reference |
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| Melting Point | -45.6 °C | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | 0.00028 mg/mL at 25 °C | Not Available | | LogP | 9.444 | 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: |
- Chantin C, Bonin B, Boulieu R, Bory C: Liquid-chromatographic study of purine metabolism abnormalities in purine nucleoside phosphorylase deficiency. Clin Chem. 1996 Feb;42(2):326-8. [8595732 ]
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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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