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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 12:54:54 PM |
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Metabolite ID | PAMDB110528 |
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Identification |
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| Name: |
CDP |
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| Description: | An organophosphate oxoanion arising from deprotonation of the three triphosphate OH groups of cytidine 5'-diphosphate; major species at pH 7.3. |
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Structure |
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| Synonyms: | -
cytidine-diphosphate
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cytidine-5'-diphosphate
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Chemical Formula: |
C9H12N3O11P2
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| Average Molecular Weight: |
400.16 |
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| Monoisotopic Molecular
Weight: |
403.0181813602 |
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| InChI Key: |
ZWIADYZPOWUWEW-XVFCMESISA-K |
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| InChI: |
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)/p-3/t4-,6-,7-,8-/m1/s1 |
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| CAS
number: |
63-38-7 |
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| IUPAC Name: | 5'-O-[(phosphonatooxy)phosphinato]cytidine |
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Traditional IUPAC Name: |
CDP |
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| SMILES: | C(C2(C(C(C(N1(C(N=C(C=C1)N)=O))O2)O)O))OP(OP([O-])([O-])=O)([O-])=O |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of chemical entities known as pyrimidine ribonucleoside diphosphates. These are pyrimidine ribonucleotides with diphosphate group linked to the ribose moiety. |
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Kingdom |
Chemical entities |
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| Super Class | Organic compounds |
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Class |
Nucleosides, nucleotides, and analogues |
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| Sub Class | Pyrimidine nucleotides |
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Direct Parent |
Pyrimidine ribonucleoside diphosphates |
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| Alternative Parents |
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| Substituents |
- Pyrimidine ribonucleoside diphosphate
- Pentose phosphate
- Pentose-5-phosphate
- Glycosyl compound
- N-glycosyl compound
- Monosaccharide phosphate
- Organic pyrophosphate
- Pentose monosaccharide
- Aminopyrimidine
- Pyrimidone
- Monoalkyl phosphate
- Hydropyrimidine
- Monosaccharide
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Primary aromatic amine
- Pyrimidine
- Imidolactam
- Alkyl phosphate
- Heteroaromatic compound
- Oxolane
- 1,2-diol
- Secondary alcohol
- Azacycle
- Oxacycle
- Organoheterocyclic compound
- Organooxygen compound
- Amine
- Alcohol
- Organic oxide
- Organic nitrogen compound
- Primary amine
- Hydrocarbon derivative
- Organic oxygen compound
- Organopnictogen compound
- Organonitrogen compound
- 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: | -3 |
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Melting point: |
Not Available |
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| Experimental Properties: |
| Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | 2.44 | HANSCH,C ET AL. (1995) |
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| Predicted Properties |
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Biological Properties |
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| Cellular Locations: |
Not Available |
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| Reactions: | |
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Pathways: |
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Spectra |
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| Spectra: |
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References |
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| References: |
- Wennefors CK, Dobrikov MI, Xu Z, Li P, Shaw BR (2008)Stereospecificity, substrate, and inhibitory properties of nucleoside diphosphate analogs for creatine and pyruvate kinases. Bioorganic chemistry 36, Pubmed: 18433830
- Kim HY, Thomas D, Hanley MR (1996)Stimulation of Ca(2+)-dependent membrane currents in Xenopus oocytes by microinjection of pyrimidine nucleotide-glucose conjugates. Molecular pharmacology 49, Pubmed: 8632770
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| Synthesis Reference: |
Chambers, Robert Warner; Shapiro, Philip; Kurkov, Viktor. Synthesis of cytidine 5'-diphosphate and guanosine 5'-diphosphate. Journal of the American Chemical Society (1960), 82 970-5. |
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| Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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| External Links: |
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