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Record Information
Version	2.0
Creation Date	2012-10-10 12:22:51 -0600
Update Date	2015-06-03 17:26:12 -0600
Secondary Accession Numbers	ECMDB23225
Identification
Name:	CMP
Description	CMP or Cytidine monophosphate, also known as 5'-cytidylic acid or simply cytidylate is a nucleotide that is used as a monomer in RNA. It is an ester of phosphoric acid with the nucleoside cytidine. CMP consists of a phosphate group, a pentose sugar ribose and the nucleobase cytosine; hence it is a ribonucleoside monophosphate. CMP can be phosphorylated to cytidine diphosphate by the enzyme CMP kinase, with Adenosine triphosphate or guanine triphosphate donating the phosphate group. CMP is used to activate mannose in metabolism.
Structure	MOLSDF3D-SDFPDBSMILESInChI View 3D Structure × Structure for #<Compound:0xa137b8a0> Close
Synonyms:	(2,5-dichlorophenyl)sulfanylmethylsulfanyl-diethoxy-sulfanylidene-$l^{5}-phosphane (2,5-Dichlorophenyl)sulphanylmethylsulphanyl-diethoxy-sulphanylidene-$l^{5}-phosphane 5'-CMP 5'-Cytidylate 5'-cytidylic acid 5-Cytidylate 5-Cytidylic acid C Cytidine 5'-monophosphate Cytidine 5'-monophosphorate Cytidine 5'-monophosphoric acid Cytidine 5'-phosphate Cytidine 5'-phosphorate Cytidine 5'-phosphoric acid Cytidine mono(dihydrogen phosphate) Cytidine mono(dihydrogen phosphoric acid) Cytidine monophosphate Cytidine monophosphoric acid Cytidine-5'-monophosphate Cytidine-5'-monophosphoric acid Cytidine-5'-phosphate Cytidine-5'-phosphoric acid Cytidine-monophosphate Cytidine-monophosphoric acid Cytidine-P Cytidine-phosphate Cytidine-phosphoric acid Cytidylate Cytidylic acid
Chemical Formula:	C11H15Cl2O2PS3
Weight:	Average: 377.31 Monoisotopic: 375.93488372
InChI Key:	GGNLTHFTYNDYNK-UHFFFAOYSA-N
InChI:	InChI=1S/C11H15Cl2O2PS3/c1-3-14-16(17,15-4-2)19-8-18-11-7-9(12)5-6-10(11)13/h5-7H,3-4,8H2,1-2H3
CAS number:	63-37-6
IUPAC Name:	O,O-diethyl ({[(2,5-dichlorophenyl)sulfanyl]methyl}sulfanyl)phosphonothioate
Traditional IUPAC Name:	O,O-diethyl {[(2,5-dichlorophenyl)sulfanyl]methyl}sulfanylphosphonothioate
SMILES:	CCOP(=S)(OCC)SCSC1=C(Cl)C=CC(Cl)=C1
Chemical Taxonomy
Description	belongs to the class of organic compounds known as dichlorobenzenes. Dichlorobenzenes are compounds containing a benzene with exactly two chlorine atoms attached to it.
Kingdom	Organic compounds
Super Class	Benzenoids
Class	Benzene and substituted derivatives
Sub Class	Halobenzenes
Direct Parent	Dichlorobenzenes
Alternative Parents	Thiophenol ethers Alkylarylthioethers Dithiophosphate S-esters Dithiophosphate O-esters Aryl chlorides Sulfenyl compounds Organothiophosphorus compounds Organooxygen compounds Organochlorides Hydrocarbon derivatives
Substituents	Aryl thioether 1,4-dichlorobenzene Thiophenol ether Alkylarylthioether Aryl chloride Dithiophosphate o-ester Aryl halide Dithiophosphate s-ester Organic dithiophosphate Sulfenyl compound Organothiophosphorus compound Thioether Organooxygen compound Organochloride Organohalogen compound Organosulfur compound Organic oxygen compound Hydrocarbon derivative Aromatic homomonocyclic compound
Molecular Framework	Aromatic homomonocyclic compounds
External Descriptors	organic sulfide (CHEBI:82144 ) Organophosphorus insecticides (C19010 )
Physical Properties
State:	Solid
Charge:	0
Melting point:	233 C
Experimental Properties:	Property Value Source
Predicted Properties	Property Value Source Water Solubility 9.0e-05 g/L ALOGPS logP 5.92 ALOGPS logP 5.5 ChemAxon logS -6.6 ALOGPS Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 0 ChemAxon Hydrogen Donor Count 0 ChemAxon Polar Surface Area 18.46 Ų ChemAxon Rotatable Bond Count 8 ChemAxon Refractivity 93.69 m³·mol⁻¹ ChemAxon Polarizability 36.6 ų ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule Yes ChemAxon MDDR-like Rule Yes ChemAxon
Biological Properties
Cellular Locations:	Membrane
Reactions:
SMPDB Pathways:	Not Available
KEGG Pathways:	Not Available
EcoCyc Pathways:	Not Available
Concentrations
	Not Available
Spectra
Spectra:	Spectrum Type Description Splash Key Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Positive splash10-00di-0493000000-4245b14d02adcfee593d View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Positive splash10-00fr-0921000000-5f69c2a675858adbf627 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Positive splash10-004i-6920000000-46197f252f2abcfec89a View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Negative splash10-0fmm-0509000000-f9e9b9905d202c4cc774 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Negative splash10-004i-1944000000-d428211dd9a493993e84 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Negative splash10-0udi-1948000000-8dcb71c666ceaf1dca4c View in MoNA MS Mass Spectrum (Electron Ionization) Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer
References
References:	Not Available
Synthesis Reference:	Not Available
Material Safety Data Sheet (MSDS)	Not Available
Links
External Links:	Resource Link CHEBI ID 17361 HMDB ID HMDB00095 Pubchem Compound ID 6131 Kegg ID C19010 ChemSpider ID Not Available Wikipedia Cytidine monophosphate BioCyc ID CMP EcoCyc ID CMP