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Identification |
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YMDB ID | YMDB00279 |
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Name | Cytidine triphosphate |
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Species | Saccharomyces cerevisiae |
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Strain | Baker's yeast |
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Description | Cytidine triphosphate, also known as 5'-CTP or H4CTP, 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. Cytidine triphosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). Cytidine triphosphate exists in all living species, ranging from bacteria to humans. |
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Structure | |
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Synonyms | - 5'-(tetrahydrogen triphosphate) cytidine
- 5'-CTP
- CTP
- Cytidine 3'-triphosphate
- Cytidine 5-Prime-Triphosphate
- cytidine 5'-(tetrahydrogen triphosphate)
- Cytidine 5'-triphosphate
- Cytidine 5'-triphosphoric acid
- Cytidine mono
- Cytidine mono(tetrahydrogen triphosphate) (ester)
- Cytidine Triphosphate
- Cytidine triphosphic acid
- cytidine-5'-triphosphate
- Deoxycytosine triphosphate
- H4ctp
- CYTIDINE-5'-triphosphoric acid
- Cytidine triphosphoric acid
- Triphosphate, cytidine
- CRPPP
- Magnesium CTP
- MG CTP
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CAS number | 65-47-4 |
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Weight | Average: 483.1563 Monoisotopic: 482.984511771 |
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InChI Key | PCDQPRRSZKQHHS-XVFCMESISA-N |
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InChI | InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 |
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IUPAC Name | ({[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid |
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Traditional IUPAC Name | CTP |
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Chemical Formula | C9H16N3O14P3 |
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SMILES | [H]O[C@]1([H])[C@]([H])(O[H])[C@]([H])(O[C@@]1([H])N1C([H])=C([H])C(=NC1=O)N([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OP(=O)(O[H])O[H] |
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Chemical Taxonomy |
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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. |
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Kingdom | Organic compounds |
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Super Class | Organic oxygen compounds |
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Class | Organooxygen compounds |
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Sub Class | Carbohydrates and carbohydrate conjugates |
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Direct Parent | Pentose phosphates |
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Alternative Parents | |
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Substituents | - Pentose phosphate
- Pentose-5-phosphate
- Glycosyl compound
- N-glycosyl compound
- Monosaccharide phosphate
- Hydroxypyrimidine
- Monoalkyl phosphate
- Hydropyrimidine
- Organic phosphoric acid derivative
- Alkyl phosphate
- Phosphoric acid ester
- Pyrimidine
- Heteroaromatic compound
- Tetrahydrofuran
- 1,2-diol
- Secondary alcohol
- Azacycle
- Oxacycle
- Organoheterocyclic compound
- Organonitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic nitrogen compound
- Alcohol
- 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 | 215-218 °C |
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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 | - mitochondrion
- endoplasmic reticulum
- cytoplasm
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Organoleptic Properties | Not Available |
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SMPDB Pathways | Triacylglycerol metabolism TG(15:0/15:0/20:0) | PW007781 | | Triacylglycerol metabolism TG(15:0/15:0/22:0) | PW007808 | | Triacylglycerol metabolism TG(15:0/15:0/24:0) | PW007840 | | Triacylglycerol metabolism TG(15:0/15:0/25:0) | PW007855 | | Triacylglycerol metabolism TG(15:0/15:0/26:0) | PW007875 | |
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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 | Not Available |
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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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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-002b-8965400000-028238d320c37d90d959 | JSpectraViewer | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive | splash10-03l3-4529211000-fc9c3bce80ab4bd56bec | 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_1) - 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 (TMS_1_6) - 70eV, Positive | Not Available | JSpectraViewer | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive | Not Available | JSpectraViewer | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive | Not Available | JSpectraViewer | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 70eV, Positive | Not Available | JSpectraViewer | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TMS_2_5) - 70eV, Positive | Not Available | JSpectraViewer | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TMS_2_6) - 70eV, Positive | Not Available | JSpectraViewer | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TMS_2_7) - 70eV, Positive | Not Available | JSpectraViewer | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TMS_2_8) - 70eV, Positive | Not Available | JSpectraViewer | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TMS_2_9) - 70eV, Positive | Not Available | JSpectraViewer | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TMS_2_10) - 70eV, Positive | Not Available | JSpectraViewer | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TMS_2_11) - 70eV, Positive | Not Available | JSpectraViewer | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TMS_2_12) - 70eV, Positive | Not Available | JSpectraViewer | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TMS_2_13) - 70eV, Positive | Not Available | JSpectraViewer | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TMS_2_14) - 70eV, Positive | Not Available | JSpectraViewer | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TMS_2_15) - 70eV, Positive | Not Available | JSpectraViewer | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TMS_2_16) - 70eV, Positive | Not Available | JSpectraViewer | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TMS_2_17) - 70eV, Positive | Not Available | JSpectraViewer | LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated) | splash10-00b9-5685900000-b067d3b0af4c194d5224 | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated) | splash10-0a4i-0309200000-33e695326ec0d28103b4 | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated) | splash10-057j-1926700000-417741bbe965170223c0 | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - QTOF 10V, negative | splash10-001i-0201900000-d0f4b76212c986ba5256 | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - QTOF 15V, negative | splash10-053r-0602900000-3b15e1314bb085815ee1 | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - QTOF 17V, negative | splash10-053r-0913800000-a9781bf9478c1556ea6f | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - QTOF 20V, negative | splash10-0a59-1903500000-ca05dcfb3a7e6249de5f | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - QTOF 23V, negative | splash10-0a59-1912200000-ed35edf8dd897cfb189f | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - QTOF 25V, negative | splash10-0a4i-1912100000-02368a767858b532e343 | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - QTOF 27V, negative | splash10-0a4i-1901100000-7e158597e6539f859f18 | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - QTOF 30V, negative | splash10-0a4i-2901000000-e6ffe54064813cca999a | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - QTOF 33V, negative | splash10-0a4i-2901000000-878ed1a77bece120cab0 | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - QTOF 35V, negative | splash10-0a4i-3900000000-5609836a3262551e3f22 | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - QTOF 40V, negative | splash10-0a6r-4900000000-25ee9e049ac582f88998 | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - QTOF 45V, negative | splash10-0a6r-6900000000-df141b7c324466d11ca1 | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - n/a 33V, negative | splash10-001i-0109000000-e4e73cfc21a26fa84c94 | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - Orbitrap 18V, negative | splash10-001i-0100900000-1d8f337531a62dff2aef | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - Orbitrap 23V, negative | splash10-053r-0703900000-43af4aa75af7c1b90a19 | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - Orbitrap 29V, negative | splash10-0a4i-0902200000-9cabc619fb140d01b9d7 | JSpectraViewer | MoNA | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-0901100000-c35d289f50f6f03e2607 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-2901000000-52ceb0833c1f651ee73e | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03di-5900000000-b2b882bb438556aea202 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-01q9-0520900000-0e5b8be0fa0c2178439b | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0bwi-9660200000-4db67ca241ce3068a27f | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9200000000-1f093b0fe69d03ecea98 | JSpectraViewer | 1D NMR | 1H 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 | 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 | 2D NMR | [1H,1H] 2D NMR Spectrum | Not Available | JSpectraViewer | 2D NMR | [1H,13C] 2D NMR Spectrum | Not Available | JSpectraViewer |
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References |
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References: | - UniProt Consortium (2011). "Ongoing and future developments at the Universal Protein Resource." Nucleic Acids Res 39:D214-D219.21051339
- Scheer, M., Grote, A., Chang, A., Schomburg, I., Munaretto, C., Rother, M., Sohngen, C., Stelzer, M., Thiele, J., Schomburg, D. (2011). "BRENDA, the enzyme information system in 2011." Nucleic Acids Res 39:D670-D676.21062828
- 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
- Shen, H., Heacock, P. N., Clancey, C. J., Dowhan, W. (1996). "The CDS1 gene encoding CDP-diacylglycerol synthase in Saccharomyces cerevisiae is essential for cell growth." J Biol Chem 271:789-795.8557688
- Marobbio, C. M., Di Noia, M. A., Palmieri, F. (2006). "Identification of a mitochondrial transporter for pyrimidine nucleotides in Saccharomyces cerevisiae: bacterial expression, reconstitution and functional characterization." Biochem J 393:441-446.16194150
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Synthesis Reference: | Simon, Ethan S.; Bednarski, Mark D.; Whitesides, George M. Synthesis of CMP-NeuAc from N-acetylglucosamine: generation of CTP from CMP using adenylate kinase. Journal of the American Chemical Society (1988), 110(21), 7159-63. |
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External Links: | |
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