Record Information |
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Version | 1.0 |
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Creation date | 2011-09-21 00:17:53 UTC |
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Update date | 2020-09-17 15:41:54 UTC |
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Primary ID | FDB022683 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | CDP |
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Description | CDP, also known as 5'-CDP, belongs to the class of organic compounds known as pyrimidine ribonucleoside diphosphates. These are pyrimidine ribonucleotides with diphosphate group linked to the ribose moiety. A cytosine nucleotide containing two phosphate groups esterified to the sugar moiety. CDP is an extremely weak basic (essentially neutral) compound (based on its pKa). CDP exists in all living species, ranging from bacteria to humans. In humans, CDP is involved in cardiolipin biosynthesis. Outside of the human body, CDP has been detected, but not quantified in, several different foods, such as carobs, mexican oregano, evergreen huckleberries, green vegetables, and pepper (c. baccatum). This could make CDP a potential biomarker for the consumption of these foods. |
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CAS Number | 63-38-7 |
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Structure | |
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Synonyms | Synonym | Source |
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5'-CDP | ChEBI | Cytidine 5'-diphosphate | ChEBI | Cytidine 5'-diphosphoric acid | ChEBI | Cytidine 5'-pyrophosphate | ChEBI | Cytidine diphosphate | ChEBI | Cytidine, 5'-(trihydrogen pyrophosphate) | ChEBI | CYTIDINE-5'-diphosphATE | ChEBI | Cytidine 5'-pyrophosphoric acid | Generator | Cytidine diphosphoric acid | Generator | Cytidine, 5'-(trihydrogen pyrophosphoric acid) | Generator | CYTIDINE-5'-diphosphoric acid | Generator | Cytidine-diphosphate | HMDB | Diphosphate, cytidine | HMDB | CDP | hmdb | Cytidine 5'-diate | ChEBI | Cytidine 5'-diic acid | Generator | Cytidine 5'-dioric acid | ChEBI | Cytidine 5'-pyroate | ChEBI | Cytidine 5'-pyroic acid | Generator | Cytidine diate | ChEBI | Cytidine diic acid | Generator | CYTIDINE-5'-diATE | ChEBI | CYTIDINE-5'-diic acid | Generator | cytidine-5'-diphosphate | hmdb | Cytidine-diate | HMDB | cytidine-diphosphate | hmdb | Cytidine, 5'-(trihydrogen pyroate) | ChEBI | Cytidine, 5'-(trihydrogen pyroic acid) | Generator |
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Predicted Properties | |
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Chemical Formula | C9H15N3O11P2 |
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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]phosphonic acid |
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InChI Identifier | InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 |
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InChI Key | ZWIADYZPOWUWEW-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)=O)[C@@H](O)[C@H]1O |
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Average Molecular Weight | 403.1764 |
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Monoisotopic Molecular Weight | 403.018181361 |
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Classification |
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Description | Belongs to the class of organic compounds known as pyrimidine ribonucleoside diphosphates. These are pyrimidine ribonucleotides with diphosphate group linked to the ribose moiety. |
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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 ribonucleotides |
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Direct Parent | Pyrimidine ribonucleoside diphosphates |
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Alternative Parents | |
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Substituents | - Pyrimidine ribonucleoside diphosphate
- Pentose-5-phosphate
- Pentose phosphate
- N-glycosyl compound
- Glycosyl compound
- Pentose monosaccharide
- Organic pyrophosphate
- Monosaccharide phosphate
- Monoalkyl phosphate
- Pyrimidone
- Aminopyrimidine
- Imidolactam
- Alkyl phosphate
- Pyrimidine
- Phosphoric acid ester
- Organic phosphoric acid derivative
- Monosaccharide
- Hydropyrimidine
- Heteroaromatic compound
- Tetrahydrofuran
- Secondary alcohol
- 1,2-diol
- Oxacycle
- Azacycle
- Organoheterocyclic compound
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Amine
- 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 | Solid | |
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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 | CDP, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-004i-5923000000-f7e7b227d8dab9e29e4b | Spectrum | Predicted GC-MS | CDP, 2 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-00di-3209010000-ff27ee45250db3e35193 | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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MS/MS | LC-MS/MS Spectrum - LC-ESI-ITFT , negative | splash10-004i-9000000000-f5d958a3ccf576052a6b | Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-ITFT , negative | splash10-00di-0390000000-0274cdf4190792442001 | Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-ITFT , negative | splash10-0udi-0009000000-2c8a9272dc29076a6167 | Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QTOF , negative | splash10-0kdi-9602700000-4b46ddc9506634a02dc5 | Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-ITFT , positive | splash10-0a4i-0059000000-d598d99a604dda402181 | Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QTOF , positive | splash10-0udi-0003900000-69398917fb0c37a4304f | Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QTOF , positive | splash10-0zg0-0726900000-8d967e8ca6677a467fb8 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-0901000000-6aed044cc4135aa261df | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-3900000000-92fac6a8baf47bac3014 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03di-5900000000-5ad7bca4dc732a0e3840 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4i-0903300000-44d24cfda26f8f0a8d96 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9701000000-d96a23308bcfcf9cf55f | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9100000000-d7e0d2a5e8d20180b483 | Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 5902 |
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ChEMBL ID | CHEMBL425252 |
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KEGG Compound ID | C00112 |
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Pubchem Compound ID | 6132 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | 17239 |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | HMDB01546 |
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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 | 33901 |
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KNApSAcK ID | Not Available |
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HET ID | CDP |
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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 | CDP |
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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 | Name | Gene Name | UniProt ID |
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UMP-CMP kinase 2, mitochondrial | CMPK2 | Q5EBM0 | Ribonucleoside-diphosphate reductase large subunit | RRM1 | P23921 | Polyribonucleotide nucleotidyltransferase 1, mitochondrial | PNPT1 | Q8TCS8 | Dolichol kinase | DOLK | Q9UPQ8 | Nucleoside diphosphate kinase | NME4 | A2IDD0 |
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Pathways | |
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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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