Record Information |
---|
Version | 2.0 |
---|
Creation Date | 2012-05-31 14:25:19 -0600 |
---|
Update Date | 2015-06-03 17:19:13 -0600 |
---|
Secondary Accession Numbers | |
---|
Identification |
---|
Name: | 2,5-Diaminopyrimidine nucleoside triphosphate |
---|
Description | 2,5-diaminopyrimidine nucleoside triphosphate is a member of the chemical class known as Pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms. |
---|
Structure | |
---|
Synonyms: | - (2R,3S,4R,5R)-5-(2,5-diamino-4-oxo-1H-pyrimidin-6-yl)amino-3,4-dihydroxyoxolan-2-ylmethoxy-hydroxyphosphoryl phosphono hydrogen phosphate
- (2R,3S,4R,5R)-5-(2,5-diamino-4-oxo-1H-Pyrimidin-6-yl)amino-3,4-dihydroxyoxolan-2-ylmethoxy-hydroxyphosphoryl phosphono hydrogen phosphoric acid
- 2,5-diamino-3,4-dihydro-4-oxo-6-(5-triphosphoribosylamino)pyrimidine
- 2,5-Diaminopyrimidine nucleoside triphosphoric acid
- N-(2,5-diamino-6-oxo-3,6-dihydro-4-Pyrimidinyl)-5-O-(hydroxy{hydroxy(phosphonooxy)phosphoryloxy}phosphoryl)-b-D-ribofuranosylamine
- N-(2,5-Diamino-6-oxo-3,6-dihydro-4-pyrimidinyl)-5-O-(hydroxy{hydroxy(phosphonooxy)phosphoryloxy}phosphoryl)-beta-D-ribofuranosylamine
- N-(2,5-diamino-6-oxo-3,6-dihydro-4-Pyrimidinyl)-5-O-(hydroxy{hydroxy(phosphonooxy)phosphoryloxy}phosphoryl)-β-D-ribofuranosylamine
|
---|
Chemical Formula: | C9H18N5O14P3 |
---|
Weight: | Average: 513.1856 Monoisotopic: 513.006309845 |
---|
InChI Key: | CRXOALRUOMUPMC-UMMCILCDSA-N |
---|
InChI: | InChI=1S/C9H18N5O14P3/c10-3-6(13-9(11)14-7(3)17)12-8-5(16)4(15)2(26-8)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2,4-5,8,15-16H,1,10H2,(H,21,22)(H,23,24)(H2,18,19,20)(H4,11,12,13,14,17)/t2-,4-,5-,8-/m1/s1 |
---|
CAS number: | Not Available |
---|
IUPAC Name: | ({[({[(2R,3S,4R,5R)-5-[(2,5-diamino-6-oxo-1,6-dihydropyrimidin-4-yl)amino]-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid |
---|
Traditional IUPAC Name: | ({[(2R,3S,4R,5R)-5-[(2,5-diamino-6-oxo-1H-pyrimidin-4-yl)amino]-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid |
---|
SMILES: | NC1=NC(N[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)=C(N)C(=O)N1 |
---|
Chemical Taxonomy |
---|
Description | belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organic oxygen compounds |
---|
Class | Organooxygen compounds |
---|
Sub Class | Carbohydrates and carbohydrate conjugates |
---|
Direct Parent | Pentose phosphates |
---|
Alternative Parents | |
---|
Substituents | - Pentose phosphate
- Pentose-5-phosphate
- Glycosyl compound
- N-glycosyl compound
- Monosaccharide phosphate
- Aminopyrimidine
- Pyrimidone
- Secondary aliphatic/aromatic amine
- Monoalkyl phosphate
- Alkyl phosphate
- Pyrimidine
- Phosphoric acid ester
- Hydropyrimidine
- Organic phosphoric acid derivative
- Tetrahydrofuran
- Heteroaromatic compound
- Vinylogous amide
- 1,2-diol
- Secondary alcohol
- Secondary amine
- Oxacycle
- Azacycle
- Organoheterocyclic compound
- Amine
- Organic oxide
- Organonitrogen compound
- Organopnictogen compound
- Organic nitrogen compound
- Hydrocarbon derivative
- Primary amine
- Alcohol
- Aromatic heteromonocyclic compound
|
---|
Molecular Framework | Aromatic heteromonocyclic compounds |
---|
External Descriptors | |
---|
Physical Properties |
---|
State: | Not Available |
---|
Charge: | -4 |
---|
Melting point: | Not Available |
---|
Experimental Properties: | |
---|
Predicted Properties | |
---|
Biological Properties |
---|
Cellular Locations: | Cytoplasm |
---|
Reactions: | |
---|
SMPDB Pathways: | |
---|
KEGG Pathways: | |
---|
EcoCyc Pathways: | Not Available |
---|
Concentrations |
---|
| Not Available |
---|
Spectra |
---|
Spectra: | Spectrum Type | Description | Splash Key | |
---|
Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-000t-8976500000-fc74ac469e1bfdc52754 | View in MoNA |
---|
Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive | splash10-01wf-4149225000-9b519bd8b351ee01e7e5 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-0911410000-3fe6a62736feeecaf0d8 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-1900000000-96cf76746a620dbd2dd3 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-3900000000-818a00c0207cb46c6c25 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-01po-1910130000-87b06c4e5468ba593493 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-002f-9430100000-349078d69c21dd6055d9 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-056r-9610000000-d08645bd83668ca53ce6 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-0000290000-66137c53351cf7e8e0e6 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-06r6-0957550000-232124a152d73110ca46 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0f6x-1962000000-34c3206db80eebfca9d6 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-0100090000-dd48fae9734e9e4423f9 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004l-6524910000-56018d5bc4e890441395 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9200000000-8c775e50a813856b5458 | View in MoNA |
---|
1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
---|
|
---|
References |
---|
References: | - 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
|
---|
Synthesis Reference: | Not Available |
---|
Material Safety Data Sheet (MSDS) | Not Available |
---|
Links |
---|
External Links: | |
---|