Record Information |
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Version | 1.0 |
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Creation date | 2015-05-07 20:00:05 UTC |
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Update date | 2020-09-17 15:41:05 UTC |
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Primary ID | FDB030748 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | CTP |
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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. CTP, much like ATP, consists of a ribose sugar, and three phosphate groups. Cytidine triphosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). CTP is a high-energy molecule similar to ATP, but its role as an energy coupler is limited to a much smaller subset of metabolic reactions. Cytidine triphosphate exists in all living species, ranging from bacteria to humans. Outside of the human body, Cytidine triphosphate has been detected, but not quantified in, several different foods, such as mung beans, wild rices, jostaberries, radish, and common mushrooms. This could make cytidine triphosphate a potential biomarker for the consumption of these foods. Cytidine triphosphate is a pyrimidine nucleoside triphosphate. CTP acts as an inhibitor of the enzyme aspartate carbamoyltransferase, which is used in pyrimidine biosynthesis. CTP is a substrate in the synthesis of RNA. The major difference between the two molecules is the base used, which in CTP is cytosine. CTP is a coenzyme in metabolic reactions like the synthesis of glycerophospholipids and glycosylation of proteins. |
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CAS Number | 65-47-4 |
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Structure | |
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Synonyms | Synonym | 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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Predicted Properties | |
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Chemical Formula | C9H16N3O14P3 |
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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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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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Isomeric 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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Average Molecular Weight | 483.1563 |
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Monoisotopic Molecular Weight | 482.984511771 |
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Classification |
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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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Disposition | Route of exposure: Source: Biological location: |
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Role | Industrial application: |
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Physico-Chemical Properties - Experimental |
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Physico-Chemical Properties - Experimental | Property | Value | Reference |
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Physical state | Not Available | |
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Physical Description | Not Available | |
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Mass Composition | Not Available | |
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Melting Point | Not Available | |
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Boiling Point | Not Available | |
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Experimental Water Solubility | Not Available | |
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Experimental logP | Not Available | |
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Experimental pKa | Not Available | |
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Isoelectric point | Not Available | |
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Charge | Not Available | |
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Optical Rotation | Not Available | |
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Spectroscopic UV Data | Not Available | |
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Density | Not Available | |
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Refractive Index | Not Available | |
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Spectra |
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Spectra | |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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Predicted GC-MS | CTP, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-002b-8965400000-028238d320c37d90d959 | Spectrum | Predicted GC-MS | CTP, 2 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-03l3-4529211000-fc9c3bce80ab4bd56bec | Spectrum | Predicted GC-MS | CTP, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | CTP, TMS_1_1, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | CTP, TMS_1_2, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | CTP, TMS_1_3, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | CTP, TMS_1_4, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | CTP, TMS_1_5, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | CTP, TMS_1_6, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | CTP, TMS_2_2, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | CTP, TMS_2_3, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | CTP, TMS_2_4, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | CTP, TMS_2_5, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | CTP, TMS_2_6, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | CTP, TMS_2_7, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | CTP, TMS_2_8, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | CTP, TMS_2_9, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | CTP, TMS_2_10, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | CTP, TMS_2_11, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | CTP, TMS_2_12, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | CTP, TMS_2_13, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | CTP, TMS_2_14, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | CTP, TMS_2_15, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | CTP, TMS_2_16, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | CTP, TMS_2_17, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated) | splash10-00b9-5685900000-b067d3b0af4c194d5224 | Spectrum | MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated) | splash10-0a4i-0309200000-33e695326ec0d28103b4 | Spectrum | MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated) | splash10-057j-1926700000-417741bbe965170223c0 | Spectrum | MS/MS | LC-MS/MS Spectrum - QTOF 10V, negative | splash10-001i-0201900000-d0f4b76212c986ba5256 | Spectrum | MS/MS | LC-MS/MS Spectrum - QTOF 15V, negative | splash10-053r-0602900000-3b15e1314bb085815ee1 | Spectrum | MS/MS | LC-MS/MS Spectrum - QTOF 17V, negative | splash10-053r-0913800000-a9781bf9478c1556ea6f | Spectrum | MS/MS | LC-MS/MS Spectrum - QTOF 20V, negative | splash10-0a59-1903500000-ca05dcfb3a7e6249de5f | Spectrum | MS/MS | LC-MS/MS Spectrum - QTOF 23V, negative | splash10-0a59-1912200000-ed35edf8dd897cfb189f | Spectrum | MS/MS | LC-MS/MS Spectrum - QTOF 25V, negative | splash10-0a4i-1912100000-02368a767858b532e343 | Spectrum | MS/MS | LC-MS/MS Spectrum - QTOF 27V, negative | splash10-0a4i-1901100000-7e158597e6539f859f18 | Spectrum | MS/MS | LC-MS/MS Spectrum - QTOF 30V, negative | splash10-0a4i-2901000000-e6ffe54064813cca999a | Spectrum | MS/MS | LC-MS/MS Spectrum - QTOF 33V, negative | splash10-0a4i-2901000000-878ed1a77bece120cab0 | Spectrum | MS/MS | LC-MS/MS Spectrum - QTOF 35V, negative | splash10-0a4i-3900000000-5609836a3262551e3f22 | Spectrum | MS/MS | LC-MS/MS Spectrum - QTOF 40V, negative | splash10-0a6r-4900000000-25ee9e049ac582f88998 | Spectrum | MS/MS | LC-MS/MS Spectrum - QTOF 45V, negative | splash10-0a6r-6900000000-df141b7c324466d11ca1 | Spectrum | MS/MS | LC-MS/MS Spectrum - n/a 33V, negative | splash10-001i-0109000000-e4e73cfc21a26fa84c94 | Spectrum | MS/MS | LC-MS/MS Spectrum - Orbitrap 18V, negative | splash10-001i-0100900000-1d8f337531a62dff2aef | Spectrum | MS/MS | LC-MS/MS Spectrum - Orbitrap 23V, negative | splash10-053r-0703900000-43af4aa75af7c1b90a19 | Spectrum | MS/MS | LC-MS/MS Spectrum - Orbitrap 29V, negative | splash10-0a4i-0902200000-9cabc619fb140d01b9d7 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-0901100000-c35d289f50f6f03e2607 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-2901000000-52ceb0833c1f651ee73e | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03di-5900000000-b2b882bb438556aea202 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-01q9-0520900000-0e5b8be0fa0c2178439b | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0bwi-9660200000-4db67ca241ce3068a27f | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9200000000-1f093b0fe69d03ecea98 | Spectrum |
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NMR | |
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External Links |
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ChemSpider ID | Not Available |
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ChEMBL ID | Not Available |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | Not Available |
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Pubchem Substance ID | Not Available |
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ChEBI ID | Not Available |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | Not Available |
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CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
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EAFUS ID | Not Available |
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Dr. Duke ID | Not Available |
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BIGG ID | Not Available |
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KNApSAcK ID | Not Available |
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HET ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | Not Available |
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GoodScent ID | Not Available |
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SuperScent ID | Not Available |
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Wikipedia ID | Not Available |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | Not Available |
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Old DFC IDS | Not Available |
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Associated Foods |
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Food | Content Range | Average | Reference |
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Food | | | Reference |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Not Available |
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Enzymes | Not Available |
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Pathways | Not Available |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | Not Available |
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Files |
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MSDS | Not Available |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | |
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