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| Identification |
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| YMDB ID | YMDB00658 |
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| Name | dCTP |
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| Species | Saccharomyces cerevisiae |
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| Strain | Baker's yeast |
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| Description | Deoxycytidine triphosphate (dCTP) is a nucleoside triphosphate used for the synthesis of DNA. DNA usually exists as a double-stranded structure, with both strands coiled together to form the characteristic double-helix. Each single strand of DNA is a chain of four types of nucleotides having the bases: adenine, cytosine, guanine, and thymine. A nucleotide is a mono-, di-, or triphosphate deoxyribonucleoside; that is, a deoxyribose sugar is attached to one, two, or three phosphates. Chemical interaction of these nucleotides forms phosphodiester linkages, creating the phosphate-deoxyribose backbone of the DNA double helix with the bases pointing inward. Nucleotides (bases) are matched between strands through hydrogen bonds to form base pairs. Adenine pairs with thymine, and cytosine pairs with guanine. [Wikipedia] |
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| Structure | |
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| Synonyms | - 2-deoxycytidine 5-triphosphate
- 2'-Deoxycytidine 5'-triphosphate
- 2'-deoxycytidine-5'-triphosphate
- dCTP
- deoxy-CTP
- deoxycytidine 5-triphosphate
- Deoxycytidine 5'-triphosphate
- deoxycytidine triphosphate
- deoxycytidine-triphosphate
- 2'-Deoxycytidine 5'-triphosphoric acid
- Deoxycytidine 5'-triphosphoric acid
- Deoxycytidine triphosphoric acid
- 2'-Deoxycytidine 5'-triphosphate, 3H-labeled
- 2'-Deoxycytidine 5'-triphosphate, p-(32)p-labeled
- 2'-Deoxycytidine 5'-triphosphate, magnesium salt
- 2'-Deoxycytidine 5'-triphosphate, p''-(32)p-labeled
- 2'-DeoxyCTP
- 2'-Deoxycytidine 5'-(tetrahydrogen triphosphate)
- 2’-DeoxyCTP
- 2’-Deoxycytidine 5’-(tetrahydrogen triphosphate)
- 2’-Deoxycytidine 5’-triphosphate
- 5'-DCTP
- 5’-DCTP
- Deoxy-5'-CTP
- Deoxy-5’-CTP
- Deoxycytidine 5’-triphosphate
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| CAS number | 2056-98-6 |
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| Weight | Average: 467.1569
Monoisotopic: 466.989597149 |
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| InChI Key | RGWHQCVHVJXOKC-SHYZEUOFSA-N |
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| InChI | InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 |
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| IUPAC Name | ({[({[(2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid |
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| Traditional IUPAC Name | dCTP |
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| Chemical Formula | C9H16N3O13P3 |
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| SMILES | NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleoside triphosphates. These are pyrimidine nucleotides with a triphosphate 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 | Pyrimidine nucleotides |
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| Sub Class | Pyrimidine deoxyribonucleotides |
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| Direct Parent | Pyrimidine 2'-deoxyribonucleoside triphosphates |
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| Alternative Parents | |
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| Substituents | - Pyrimidine 2'-deoxyribonucleoside triphosphate
- Hydroxypyrimidine
- Monoalkyl phosphate
- Hydropyrimidine
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Pyrimidine
- Alkyl phosphate
- Tetrahydrofuran
- Heteroaromatic compound
- Secondary alcohol
- Oxacycle
- Organoheterocyclic compound
- Azacycle
- Alcohol
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organooxygen compound
- Organonitrogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | |
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| Physical Properties |
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| State | Solid |
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| Charge | 0 |
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| Melting point | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Water Solubility | Not Available | PhysProp | | LogP | Not Available | PhysProp |
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| Predicted Properties | |
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| Biological Properties |
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| Cellular Locations | |
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| Organoleptic Properties | Not Available |
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| SMPDB Pathways | |
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| KEGG Pathways | |
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| SMPDB Reactions | |
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| KEGG Reactions | |
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| Concentrations |
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| Intracellular Concentrations | |
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| Extracellular Concentrations | Not Available |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| GC-MS | GC-MS Spectrum - GC-EI-TOF (Non-derivatized) | splash10-03di-1900000000-3d90990d3831fc38abb6 | JSpectraViewer | MoNA | | GC-MS | GC-MS Spectrum - GC-EI-TOF (Non-derivatized) | splash10-03di-1900000000-3d90990d3831fc38abb6 | JSpectraViewer | MoNA | | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-0002-9734200000-676373c19e4530dc2572 | JSpectraViewer | | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive | splash10-00dm-9207110000-47dd719accdfad2d1bb7 | JSpectraViewer | | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | JSpectraViewer | | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive | Not Available | JSpectraViewer | | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive | Not Available | JSpectraViewer | | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TMS_1_4) - 70eV, Positive | Not Available | JSpectraViewer | | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TMS_1_5) - 70eV, Positive | Not Available | JSpectraViewer | | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TBDMS_1_1) - 70eV, Positive | Not Available | JSpectraViewer | | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TBDMS_1_2) - 70eV, Positive | Not Available | JSpectraViewer | | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TBDMS_1_3) - 70eV, Positive | Not Available | JSpectraViewer | | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TBDMS_1_4) - 70eV, Positive | Not Available | JSpectraViewer | | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TBDMS_1_5) - 70eV, Positive | Not Available | JSpectraViewer | | LC-MS/MS | LC-MS/MS Spectrum - Orbitrap 16V, negative | splash10-014i-0100900000-0c4be9d6bd044dcc30a0 | JSpectraViewer | MoNA | | LC-MS/MS | LC-MS/MS Spectrum - Orbitrap 21V, negative | splash10-066r-0703900000-fba71bd6110938a88717 | JSpectraViewer | MoNA | | LC-MS/MS | LC-MS/MS Spectrum - Orbitrap 28V, negative | splash10-0a4i-0903100000-bc9ee1b07578fee8fe60 | JSpectraViewer | MoNA | | LC-MS/MS | LC-MS/MS Spectrum - Orbitrap 34V, negative | splash10-0a4i-1912000000-502a328c4dd3b85b1261 | JSpectraViewer | MoNA | | LC-MS/MS | LC-MS/MS Spectrum - Orbitrap 41V, negative | splash10-0a4i-3910000000-24e79fde8d9f943e5918 | JSpectraViewer | MoNA | | LC-MS/MS | LC-MS/MS Spectrum - Orbitrap 47V, negative | splash10-0a6r-7910000000-97e0df7b280b0847ad0e | JSpectraViewer | MoNA | | LC-MS/MS | LC-MS/MS Spectrum - Orbitrap 56V, negative | splash10-056r-9600000000-76ddb7ea2b1e0425b8bf | JSpectraViewer | MoNA | | LC-MS/MS | LC-MS/MS Spectrum - Orbitrap 64V, negative | splash10-004i-9300000000-d6ad5706c5825292a03c | JSpectraViewer | MoNA | | LC-MS/MS | LC-MS/MS Spectrum - Orbitrap 77V, negative | splash10-004i-9100000000-df323aba3fe0d34ef447 | JSpectraViewer | MoNA | | LC-MS/MS | LC-MS/MS Spectrum - n/a 32V, negative | splash10-014i-0419100000-8e37a6184a56a1ce0b9e | JSpectraViewer | MoNA | | LC-MS/MS | LC-MS/MS Spectrum - n/a 32V, negative | splash10-004i-9000000000-46d4cee1b5ac630ba9b8 | JSpectraViewer | MoNA | | LC-MS/MS | LC-MS/MS Spectrum - n/a 32V, negative | splash10-0a4i-0190000000-e5ee855f41773e79d603 | JSpectraViewer | MoNA | | LC-MS/MS | LC-MS/MS Spectrum - n/a 32V, negative | splash10-0a4r-1950000000-00c42d75643af2669e6b | JSpectraViewer | MoNA | | LC-MS/MS | LC-MS/MS Spectrum - n/a 32V, negative | splash10-014r-0119100000-ec7aadc4870ab3921ecc | JSpectraViewer | MoNA | | LC-MS/MS | LC-MS/MS Spectrum - n/a 32V, negative | splash10-052r-0691000000-113e1278b4a989de2daa | JSpectraViewer | MoNA | | LC-MS/MS | LC-MS/MS Spectrum - n/a 32V, positive | splash10-0006-0900400000-65f4077bcb5020b2d9a1 | JSpectraViewer | MoNA | | LC-MS/MS | LC-MS/MS Spectrum - n/a 32V, positive | splash10-00di-0102900000-863c74032b703a479a57 | JSpectraViewer | MoNA | | LC-MS/MS | LC-MS/MS Spectrum - Orbitrap 3V, positive | splash10-014i-0100900000-764a12da50ad51ce0497 | JSpectraViewer | MoNA | | LC-MS/MS | LC-MS/MS Spectrum - Orbitrap 12V, positive | splash10-03di-0900200000-7b013855e19e8393c74d | JSpectraViewer | MoNA | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-0900000000-939cbd147b029e517cc1 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-2911000000-f4b496ca2bd6dcb38361 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03di-4900000000-a5e5fd690ddf51310279 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00xu-4110900000-42349a9362c5d3d7c6ef | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-057r-9540100000-7a06dee6889dcffec4e9 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-056r-9610000000-0a85daf50b374c5ac8ba | JSpectraViewer | | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer |
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| References |
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| References: | - Herrgard, M. J., Swainston, N., Dobson, P., Dunn, W. B., Arga, K. Y., Arvas, M., Bluthgen, N., Borger, S., Costenoble, R., Heinemann, M., Hucka, M., Le Novere, N., Li, P., Liebermeister, W., Mo, M. L., Oliveira, A. P., Petranovic, D., Pettifer, S., Simeonidis, E., Smallbone, K., Spasic, I., Weichart, D., Brent, R., Broomhead, D. S., Westerhoff, H. V., Kirdar, B., Penttila, M., Klipp, E., Palsson, B. O., Sauer, U., Oliver, S. G., Mendes, P., Nielsen, J., Kell, D. B. (2008). "A consensus yeast metabolic network reconstruction obtained from a community approach to systems biology." Nat Biotechnol 26:1155-1160.18846089
- Koc, A., Wheeler, L. J., Mathews, C. K., Merrill, G. F. (2004). "Hydroxyurea arrests DNA replication by a mechanism that preserves basal dNTP pools." J Biol Chem 279:223-230.14573610
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| Synthesis Reference: | Hinz M; Gottschling D; Eritja R; Seliger H Synthesis and properties of 2'-deoxycytidine triphosphate carrying c-myc tag sequence. Nucleosides, nucleotides & nucleic acids (2000), 19(10-12), 1543-52. |
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| External Links: | |
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