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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 | PAMDB000509 |
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Identification |
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| Name: |
DIDP |
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| Description: | dIDP (deoxyinoside diphosphate) is a nucleoside. It is an intermediate in purine metabolism. It is converted to dITP or from dITP via multifunctional nucleoside diphosphate kinase and apyrimidinic endonuclease and 3'-phosphodiesterase (EC:2.7.4.6). (KEGG) |
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Structure |
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| Synonyms: | - 2'-Deoxyinosine 5'-diphosphate
- 2'-Deoxyinosine 5'-diphosphoric acid
- Deoxyinosine diphosphate
- Deoxyinosine diphosphoric acid
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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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| InChI Key: |
BKUSIKGSPSFQAC-RRKCRQDMSA-N |
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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)/t5-,6+,7+/m0/s1 |
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| CAS
number: |
26575-15-5 |
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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 IUPAC Name: |
2'-deoxyinosine |
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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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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety. |
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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 diphosphates |
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| Alternative Parents |
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| Substituents |
- Purine ribonucleoside diphosphate
- Organic pyrophosphate
- Hypoxanthine
- 6-oxopurine
- Purine
- Imidazopyrimidine
- Monoalkyl phosphate
- Pyrimidone
- Alkyl phosphate
- Pyrimidine
- Phosphoric acid ester
- Organic phosphoric acid derivative
- Organic phosphate
- N-substituted imidazole
- Heteroaromatic compound
- Vinylogous amide
- Oxolane
- Imidazole
- Azole
- Secondary alcohol
- Oxacycle
- Azacycle
- Organoheterocyclic compound
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Alcohol
- 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 | Source |
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| Water Solubility: | 0.00028 mg/mL at 25 oC [YALKOWSKY,SH & DANNENFELSER,RM (1992)] | PhysProp | | LogP: | 9.444 | PhysProp |
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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: |
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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. Pubmed: 8595732
- Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. Pubmed: 22080510
- Keseler, I. M., Collado-Vides, J., Santos-Zavaleta, A., Peralta-Gil, M., Gama-Castro, S., Muniz-Rascado, L., Bonavides-Martinez, C., Paley, S., Krummenacker, M., Altman, T., Kaipa, P., Spaulding, A., Pacheco, J., Latendresse, M., Fulcher, C., Sarker, M., Shearer, A. G., Mackie, A., Paulsen, I., Gunsalus, R. P., Karp, P. D. (2011). "EcoCyc: a comprehensive database of Escherichia coli biology." Nucleic Acids Res 39:D583-D590. Pubmed: 21097882
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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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