Record Information |
---|
Version | 1.0 |
---|
Creation Date | 2016-09-30 22:47:29 UTC |
---|
Update Date | 2020-05-21 16:29:27 UTC |
---|
BMDB ID | BMDB0001546 |
---|
Secondary Accession Numbers | |
---|
Metabolite Identification |
---|
Common Name | CDP |
---|
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. CDP is an extremely weak basic (essentially neutral) compound (based on its pKa). CDP exists in all living species, ranging from bacteria to humans. |
---|
Structure | |
---|
Synonyms | Value | Source |
---|
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 |
|
---|
Chemical Formula | C9H15N3O11P2 |
---|
Average Molecular Weight | 403.1764 |
---|
Monoisotopic Molecular Weight | 403.018181361 |
---|
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 |
---|
Traditional Name | CDP |
---|
CAS Registry Number | 63-38-7 |
---|
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 |
---|
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 |
---|
InChI Key | ZWIADYZPOWUWEW-XVFCMESISA-N |
---|
Chemical Taxonomy |
---|
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. |
---|
Kingdom | Organic compounds |
---|
Super Class | Nucleosides, nucleotides, and analogues |
---|
Class | Pyrimidine nucleotides |
---|
Sub Class | Pyrimidine ribonucleotides |
---|
Direct Parent | Pyrimidine ribonucleoside diphosphates |
---|
Alternative Parents | |
---|
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
|
---|
Molecular Framework | Aromatic heteromonocyclic compounds |
---|
External Descriptors | |
---|
Ontology |
---|
Status | Expected but not Quantified |
---|
Origin | |
---|
Biofunction | Not Available |
---|
Application | Not Available |
---|
Cellular locations | - Cytoplasm
- Mitochondria
- Nucleus
|
---|
Physical Properties |
---|
State | Solid |
---|
Experimental Properties | Property | Value | Reference |
---|
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) |
|
---|
Predicted Properties | |
---|
Spectra |
---|
Spectra | Spectrum Type | Description | Splash Key | |
---|
Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-004i-5923000000-f7e7b227d8dab9e29e4b | View in MoNA |
---|
Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive | splash10-00di-3209010000-ff27ee45250db3e35193 | View in MoNA |
---|
Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | View in JSpectraViewer |
---|
LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-ITFT , negative | splash10-004i-9000000000-f5d958a3ccf576052a6b | View in MoNA |
---|
LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-ITFT , negative | splash10-00di-0390000000-0274cdf4190792442001 | View in MoNA |
---|
LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-ITFT , negative | splash10-0udi-0009000000-2c8a9272dc29076a6167 | View in MoNA |
---|
LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QTOF , negative | splash10-0kdi-9602700000-4b46ddc9506634a02dc5 | View in MoNA |
---|
LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-ITFT , positive | splash10-0a4i-0059000000-d598d99a604dda402181 | View in MoNA |
---|
LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QTOF , positive | splash10-0udi-0003900000-69398917fb0c37a4304f | View in MoNA |
---|
LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QTOF , positive | splash10-0zg0-0726900000-8d967e8ca6677a467fb8 | View in MoNA |
---|
LC-MS/MS | LC-MS/MS Spectrum - 30V, Positive | splash10-0k9i-0927400000-86e5ba01091f928ca88f | View in MoNA |
---|
LC-MS/MS | LC-MS/MS Spectrum - 20V, Negative | splash10-0kdi-9814400000-54042f12a186a46a5a17 | View in MoNA |
---|
LC-MS/MS | LC-MS/MS Spectrum - 30V, Positive | splash10-0k9i-0927400000-61338365caaf6cc96edd | View in MoNA |
---|
LC-MS/MS | LC-MS/MS Spectrum - 35V, Positive | splash10-03di-0900000000-2e5da7181d5154fd5287 | View in MoNA |
---|
LC-MS/MS | LC-MS/MS Spectrum - 30V, Negative | splash10-056r-8913200000-d327869c80aa6b6ba8b7 | View in MoNA |
---|
LC-MS/MS | LC-MS/MS Spectrum - 30V, Negative | splash10-056r-7913200000-4f2656e2010a4274c652 | View in MoNA |
---|
LC-MS/MS | LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9200000000-ae7cefa275aa112f8ff3 | View in MoNA |
---|
LC-MS/MS | LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0000900000-1f74a916c1bec3408d2e | View in MoNA |
---|
LC-MS/MS | LC-MS/MS Spectrum - 35V, Negative | splash10-056r-9601000000-0261d005e8d3964fc255 | View in MoNA |
---|
LC-MS/MS | LC-MS/MS Spectrum - 30V, Negative | splash10-056r-8913200000-3093e23d54c628f19ea0 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-0901000000-6aed044cc4135aa261df | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-3900000000-92fac6a8baf47bac3014 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03di-5900000000-5ad7bca4dc732a0e3840 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4i-0903300000-44d24cfda26f8f0a8d96 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9701000000-d96a23308bcfcf9cf55f | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9100000000-d7e0d2a5e8d20180b483 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0100900000-fd8a10c051d8566d4abc | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-056r-9418200000-cd847d00773e220445dd | View in MoNA |
---|
1D NMR | 1H NMR Spectrum (1D, D2O, experimental) | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum (1D, D2O, experimental) | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
---|
|
---|