| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:05:05 UTC |
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| Update Date | 2020-04-22 15:12:26 UTC |
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| BMDB ID | BMDB0003536 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | dIDP |
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| Description | dIDP belongs to the class of organic compounds 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. dIDP is a moderately basic compound (based on its pKa). dIDP exists in all living organisms, ranging from bacteria to humans. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 2'-Deoxyinosine 5'-diphosphate | ChEBI | | 2'-Deoxyinosine-5'-diphosphate | Kegg | | 2'-Deoxyinosine 5'-diphosphoric acid | Generator | | 2'-Deoxyinosine-5'-diphosphoric acid | Generator | | DIDP | ChEBI |
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| Chemical Formula | C10H14N4O10P2 |
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| Average Molecular Weight | 412.1865 |
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| Monoisotopic Molecular Weight | 412.018515712 |
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| IUPAC Name | {[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy})phosphoryl]oxy}phosphonic acid |
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| Traditional Name | 2'-deoxyinosine |
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| CAS Registry Number | 26575-15-5 |
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| SMILES | O[C@H]1C[C@@H](O[C@@H]1CO[P@@](O)(=O)OP(O)(O)=O)N1C=NC2=C1NC=NC2=O |
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| InChI Identifier | 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)/t5-,6+,7+/m0/s1 |
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| InChI Key | BKUSIKGSPSFQAC-RRKCRQDMSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds 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 | 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 deoxyribonucleotides |
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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
- Tetrahydrofuran
- 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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| 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 | - Cell membrane
- Cytoplasm
- Membrane
- Mitochondria
- Nucleus
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| Physical Properties |
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| State | Liquid |
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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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| Spectra |
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| Spectra | |
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