Record Information |
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Version | 1.0 |
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Creation Date | 2016-09-30 22:19:26 UTC |
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Update Date | 2020-05-21 16:29:00 UTC |
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BMDB ID | BMDB0000082 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Cytidine triphosphate |
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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 | Value | Source |
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5'-CTP | ChEBI | Cytidine 5'-triphosphate | ChEBI | CYTIDINE-5'-triphosphATE | ChEBI | H4CTP | ChEBI | Cytidine 5'-triphosphoric acid | Generator | CYTIDINE-5'-triphosphoric acid | Generator | Cytidine triphosphoric acid | Generator | 5'-(Tetrahydrogen triphosphate) cytidine | HMDB | CTP | HMDB | Cytidine 3'-triphosphate | HMDB | Cytidine 5'-(tetrahydrogen triphosphate) | HMDB | Cytidine 5-prime-triphosphate | HMDB | Cytidine mono | HMDB | Cytidine mono(tetrahydrogen triphosphate) (ester) | HMDB | Deoxycytosine triphosphate | HMDB | Triphosphate, cytidine | HMDB | CRPPP | HMDB | Magnesium CTP | HMDB | MG CTP | HMDB |
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Chemical Formula | C9H16N3O14P3 |
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Average Molecular Weight | 483.1563 |
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Monoisotopic Molecular Weight | 482.984511771 |
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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 Name | CTP |
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CAS Registry Number | 65-47-4 |
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SMILES | NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |
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InChI Identifier | 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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InChI Key | PCDQPRRSZKQHHS-XVFCMESISA-N |
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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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Ontology |
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Status | Expected but not Quantified |
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Origin | |
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Biofunction | Not Available |
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Application | Not Available |
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Cellular locations | - Cytoplasm
- Mitochondria
- Nucleus
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Physical Properties |
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State | Solid |
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Experimental Properties | Property | Value | Reference |
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Melting Point | 215 - 218 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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Spectra |
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Spectra | Spectrum Type | Description | Splash Key | |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-002b-8965400000-028238d320c37d90d959 | View in MoNA |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive | splash10-03l3-4529211000-fc9c3bce80ab4bd56bec | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated) | splash10-00b9-5685900000-b067d3b0af4c194d5224 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated) | splash10-0a4i-0309200000-33e695326ec0d28103b4 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated) | splash10-057j-1926700000-417741bbe965170223c0 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - QTOF 10V, negative | splash10-001i-0201900000-d0f4b76212c986ba5256 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - QTOF 15V, negative | splash10-053r-0602900000-3b15e1314bb085815ee1 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - QTOF 17V, negative | splash10-053r-0913800000-a9781bf9478c1556ea6f | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - QTOF 20V, negative | splash10-0a59-1903500000-ca05dcfb3a7e6249de5f | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - QTOF 23V, negative | splash10-0a59-1912200000-ed35edf8dd897cfb189f | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - QTOF 25V, negative | splash10-0a4i-1912100000-02368a767858b532e343 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - QTOF 27V, negative | splash10-0a4i-1901100000-7e158597e6539f859f18 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - QTOF 30V, negative | splash10-0a4i-2901000000-e6ffe54064813cca999a | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - QTOF 33V, negative | splash10-0a4i-2901000000-878ed1a77bece120cab0 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - QTOF 35V, negative | splash10-0a4i-3900000000-5609836a3262551e3f22 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - QTOF 40V, negative | splash10-0a6r-4900000000-25ee9e049ac582f88998 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - QTOF 45V, negative | splash10-0a6r-6900000000-df141b7c324466d11ca1 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - n/a 33V, negative | splash10-001i-0109000000-e4e73cfc21a26fa84c94 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Orbitrap 18V, negative | splash10-001i-0100900000-1d8f337531a62dff2aef | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Orbitrap 23V, negative | splash10-053r-0703900000-43af4aa75af7c1b90a19 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Orbitrap 29V, negative | splash10-0a4i-0902200000-9cabc619fb140d01b9d7 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-0901100000-c35d289f50f6f03e2607 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-2901000000-52ceb0833c1f651ee73e | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03di-5900000000-b2b882bb438556aea202 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-01q9-0520900000-0e5b8be0fa0c2178439b | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0bwi-9660200000-4db67ca241ce3068a27f | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9200000000-1f093b0fe69d03ecea98 | View in MoNA |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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2D NMR | [1H,1H] 2D NMR Spectrum | Not Available | View in JSpectraViewer |
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2D NMR | [1H,13C] 2D NMR Spectrum | Not Available | View in JSpectraViewer |
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