|
Record Information |
|---|
| Version |
1.0 |
|---|
| Update Date |
1/22/2018 12:54:54 PM |
|---|
|
Metabolite ID | PAMDB000509 |
|---|
|
Identification |
|---|
| Name: |
DIDP |
|---|
| 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) |
|---|
|
Structure |
|
|---|
| Synonyms: | - 2'-Deoxyinosine 5'-diphosphate
- 2'-Deoxyinosine 5'-diphosphoric acid
- Deoxyinosine diphosphate
- Deoxyinosine diphosphoric acid
|
|---|
|
Chemical Formula: |
C10H14N4O10P2 |
|---|
| Average Molecular Weight: |
412.1865 |
|---|
| Monoisotopic Molecular
Weight: |
412.018515712 |
|---|
| InChI Key: |
BKUSIKGSPSFQAC-RRKCRQDMSA-N |
|---|
| 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 |
|---|
| CAS
number: |
26575-15-5 |
|---|
| 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 |
|---|
|
Traditional IUPAC Name: |
2'-deoxyinosine |
|---|
| SMILES: | O[C@H]1C[C@@H](O[C@@H]1CO[P@@](O)(=O)OP(O)(O)=O)N1C=NC2=C1NC=NC2=O |
|---|
|
Chemical Taxonomy |
|---|
|
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. |
|---|
|
Kingdom |
Organic compounds |
|---|
| Super Class | Nucleosides, nucleotides, and analogues |
|---|
|
Class |
Purine nucleotides |
|---|
| Sub Class | Purine ribonucleotides |
|---|
|
Direct Parent |
Purine ribonucleoside diphosphates |
|---|
| Alternative Parents |
|
|---|
| 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
|
|---|
| Molecular Framework |
Aromatic heteropolycyclic compounds |
|---|
| External Descriptors |
|
|---|
|
Physical Properties |
|---|
| State: |
Liquid |
|---|
| Charge: | -3 |
|---|
|
Melting point: |
-45.6 °C |
|---|
| Experimental Properties: |
| Property | Value | Source |
|---|
| Water Solubility: | 0.00028 mg/mL at 25 oC [YALKOWSKY,SH & DANNENFELSER,RM (1992)] | PhysProp | | LogP: | 9.444 | PhysProp |
|
|---|
| Predicted Properties |
|
|---|
|
Biological Properties |
|---|
| Cellular Locations: |
Cytoplasm |
|---|
| Reactions: | |
|---|
|
Pathways: |
|
|---|
|
Spectra |
|---|
| Spectra: |
|
|---|
|
References |
|---|
| 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
|
|---|
| Synthesis Reference: |
Not Available |
|---|
| Material Safety Data Sheet (MSDS) |
Not Available |
|---|
|
Links |
|---|
| External Links: |
|
|---|
