Record Information |
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Version | 1.0 |
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Creation date | 2011-09-21 00:15:07 UTC |
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Update date | 2020-09-17 15:38:52 UTC |
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Primary ID | FDB022510 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | dCDP |
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Description | dCDP, also known as deoxy-CDP, belongs to the class of organic compounds known as organic pyrophosphates. These are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O. dCDP is an extremely weak basic (essentially neutral) compound (based on its pKa). dCDP exists in all living species, ranging from bacteria to humans. Within humans, dCDP participates in a number of enzymatic reactions. In particular, dCDP can be biosynthesized from CDP through the action of the enzyme ribonucleoside-diphosphate reductase large subunit. In addition, dCDP can be converted into dCTP; which is mediated by the enzyme nucleoside diphosphate kinase 6. In humans, dCDP is involved in pyrimidine metabolism. Outside of the human body, dCDP has been detected, but not quantified in, several different foods, such as climbing beans, fox grapes, chinese mustards, angelica, and guava. This could make dCDP a potential biomarker for the consumption of these foods. A 2'-deoxycytidine phosphate that is the 2'- deoxy derivative of cytidine 5'-diphosphate (CDP). |
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CAS Number | 800-73-7 |
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Structure | |
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Synonyms | Synonym | Source |
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2'-Deoxycytidine 5'-diphosphate | ChEBI | 2'-Deoxycytidine diphosphate | ChEBI | D-1beta-Ribofuranosylcytosine diphosphate | ChEBI | Deoxycytidine diphosphate | ChEBI | 2'-Deoxycytidine 5'-diphosphoric acid | Generator | 2'-Deoxycytidine diphosphoric acid | Generator | D-1b-Ribofuranosylcytosine diphosphate | Generator | D-1b-Ribofuranosylcytosine diphosphoric acid | Generator | D-1beta-Ribofuranosylcytosine diphosphoric acid | Generator | D-1Β-ribofuranosylcytosine diphosphate | Generator | D-1Β-ribofuranosylcytosine diphosphoric acid | Generator | Deoxycytidine diphosphoric acid | Generator | 2'-Deoxy-cytidine 5'-pyrophosphate | HMDB | 2'-Deoxy-cytidine pyrophosphate | HMDB | 2'-Deoxycytidine-5'-diphosphate | HMDB | 4-Amino-1-[2-deoxy-5-O-[hydroxy(phosphonooxy)phosphinyl]-beta-D-erythro-pentofuranosyl]-2(1H)-pyrimidinone | HMDB | 4-Amino-1-[2-deoxy-5-O-[hydroxy(phosphonooxy)phosphinyl]-beta-delta-erythro-pentofuranosyl]-2(1H)-pyrimidinone | HMDB | delta-1beta-Ribofuranosylcytosine diphosphate | HMDB | Deoxy-CDP | HMDB | Deoxycytidine 5'-diphosphate | HMDB | 2'-Deoxy-cytidine 5'-pyroate | HMDB | 2'-deoxy-Cytidine 5'-pyrophosphate | hmdb | 2'-Deoxy-cytidine pyroate | HMDB | 2'-deoxy-Cytidine pyrophosphate | hmdb | 2'-Deoxycytidine 5'-diate | ChEBI | 2'-Deoxycytidine 5'-diic acid | Generator | 2'-Deoxycytidine diate | ChEBI | 2'-Deoxycytidine diic acid | Generator | 2'-Deoxycytidine-5'-diate | HMDB | 4-amino-1-[2-Deoxy-5-O-[hydroxy(onooxy)inyl]-beta-D-erythro-pentofuranosyl]-2(1H)-pyrimidinone | HMDB | 4-amino-1-[2-Deoxy-5-O-[hydroxy(onooxy)inyl]-beta-delta-erythro-pentofuranosyl]-2(1H)-pyrimidinone | HMDB | 4-amino-1-[2-deoxy-5-O-[hydroxy(phosphonooxy)phosphinyl]-beta-D-erythro-pentofuranosyl]-2(1H)-pyrimidinone | hmdb | 4-amino-1-[2-deoxy-5-O-[hydroxy(phosphonooxy)phosphinyl]-beta-delta-erythro-pentofuranosyl]-2(1H)-pyrimidinone | hmdb | D-1b-Ribofuranosylcytosine diate | Generator | D-1b-Ribofuranosylcytosine diic acid | Generator | D-1beta-Ribofuranosylcytosine diate | ChEBI | D-1beta-Ribofuranosylcytosine diic acid | Generator | D-1β-ribofuranosylcytosine diate | Generator | D-1β-ribofuranosylcytosine diic acid | Generator | dCDP | hmdb | delta-1beta-Ribofuranosylcytosine diate | HMDB | Deoxycytidine 5'-diate | HMDB | Deoxycytidine diate | ChEBI | Deoxycytidine diic acid | Generator |
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Predicted Properties | |
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Chemical Formula | C9H15N3O10P2 |
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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]phosphonic acid |
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InChI Identifier | InChI=1S/C9H15N3O10P2/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(21-8)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 |
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InChI Key | FTDHDKPUHBLBTL-SHYZEUOFSA-N |
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Isomeric SMILES | NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O1 |
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Average Molecular Weight | 387.177 |
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Monoisotopic Molecular Weight | 387.023266739 |
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Classification |
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Description | Belongs to the class of organic compounds known as organic pyrophosphates. These are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O. |
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Kingdom | Organic compounds |
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Super Class | Organic oxygen compounds |
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Class | Organic oxoanionic compounds |
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Sub Class | Organic pyrophosphates |
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Direct Parent | Organic pyrophosphates |
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Alternative Parents | |
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Substituents | - Organic pyrophosphate
- Aminopyrimidine
- Pyrimidone
- Monoalkyl phosphate
- Hydropyrimidine
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Pyrimidine
- Imidolactam
- Alkyl phosphate
- Heteroaromatic compound
- Tetrahydrofuran
- Secondary alcohol
- Organoheterocyclic compound
- Azacycle
- Oxacycle
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic nitrogen 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: Biological location: Source: |
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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 | dCDP, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-002e-7912000000-ef0991eaee32b505e016 | Spectrum | Predicted GC-MS | dCDP, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0006-9851100000-62426a0730b483cea09b | Spectrum | Predicted GC-MS | dCDP, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | dCDP, non-derivatized, 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 - LC-ESI-QTOF , negative | splash10-0570-9418000000-2d9af3073a3dc2deba5d | Spectrum | MS/MS | LC-MS/MS Spectrum - , negative | splash10-056r-9511000000-84defb0c7de79c169ebf | Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QTOF , positive | splash10-000i-0409000000-e5af2ab8466aa7c560d3 | Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QTOF , positive | splash10-0a4i-0903000000-1de5fa4ac24e19830f39 | Spectrum | MS/MS | LC-MS/MS Spectrum - 10V, Negative | splash10-000i-0009000000-4aa3ce1bf37251d7fc83 | Spectrum | MS/MS | LC-MS/MS Spectrum - 20V, Negative | splash10-056r-9435000000-55592321586c623c4830 | Spectrum | MS/MS | LC-MS/MS Spectrum - 30V, Positive | splash10-0a4i-0903000000-1de5fa4ac24e19830f39 | Spectrum | MS/MS | LC-MS/MS Spectrum - 35V, Negative | splash10-056r-9411000000-84bbde6c497548c746d1 | Spectrum | MS/MS | LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9100000000-63f9c6b289fb024c58fa | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-0900000000-e584f4f2cb1a8a01a7e7 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-3910000000-d34603d21a6d1d52ae1f | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03di-5900000000-52ac41f181e1d5fbf96a | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000f-4209000000-ea241dab90201ce7963e | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9601000000-55120f468bf1ebba66cd | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9100000000-bd81788fb13a599a4f60 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-0900000000-63028e00ccb9887f46f5 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-1900000000-9b943638c706a10be8db | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03di-3910000000-f5ebfcca0e4ec5d76afa | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-0409000000-47d71d5707b30d7b3ad5 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9324000000-25bfbc45e3248b83b219 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-a5e502a2627af2048a1f | Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 132961 |
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ChEMBL ID | Not Available |
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KEGG Compound ID | C00705 |
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Pubchem Compound ID | 150855 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | 28846 |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | HMDB01245 |
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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 | 50858 |
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KNApSAcK ID | Not Available |
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HET ID | YYY |
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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 | Deoxycytidine diphosphate |
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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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Uridine-cytidine kinase-like 1 | UCKL1 | Q9NWZ5 | UMP-CMP kinase 2, mitochondrial | CMPK2 | Q5EBM0 | Ribonucleoside-diphosphate reductase large subunit | RRM1 | P23921 |
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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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