Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB120019
Identification
Name: cytidine-3'-monophosphate
Description:A nucleoside 3'-phosphate(2−) which results from the removal of two protons from the phosphate group of 3'-CMP; major species at pH 7.3.
Structure
Thumb
Synonyms:
  • 3'-CMP
  • 3'-cytidylate
  • cytidine 3'-phosphate (2-)
Chemical Formula: C9H12N3O8P
Average Molecular Weight: 321.183
Monoisotopic Molecular Weight: 323.05185
InChI Key: UOOOPKANIPLQPU-XVFCMESISA-L
InChI:InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1
CAS number: Not Available
IUPAC Name:3'-O-phosphonatocytidine
Traditional IUPAC Name: Not Available
SMILES:C(C2(C(C(C(N1(C(N=C(C=C1)N)=O))O2)O)OP([O-])([O-])=O))O
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as ribonucleoside 3'-phosphates. These are ribonucleosides that contain a phosphate group attached to the C-3 carbon of the ribose or deoxyribose moiety. The nucleobases here are limited to purine, pyrimidine, and pyridine derivatives.
Kingdom Organic compounds
Super ClassNucleosides, nucleotides, and analogues
Class Ribonucleoside 3'-phosphates
Sub ClassNot Available
Direct Parent Ribonucleoside 3'-phosphates
Alternative Parents
Substituents
  • Ribonucleoside 3'-phosphate
  • Pentose phosphate
  • Glycosyl compound
  • N-glycosyl compound
  • Pentose monosaccharide
  • Monosaccharide phosphate
  • Aminopyrimidine
  • Pyrimidone
  • Phosphoric acid ester
  • Hydropyrimidine
  • Pyrimidine
  • Organic phosphoric acid derivative
  • Imidolactam
  • Alkyl phosphate
  • Monosaccharide
  • Oxolane
  • Heteroaromatic compound
  • Secondary alcohol
  • Oxacycle
  • Azacycle
  • Organoheterocyclic compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Amine
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • Primary amine
  • Primary alcohol
  • Organic anion
  • Aromatic heteromonocyclic compound
Molecular Framework Aromatic heteromonocyclic compounds
External Descriptors
  • a pyrimidine-related compound, a nucleoside 3'-phosphate (CPD-3711)
Physical Properties
State: Not Available
Charge:-2
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight321.182 g/molPubChem
XLogP3-3.9 PubChem
Hydrogen Bond Donor Count3 PubChem
Hydrogen Bond Acceptor Count8 PubChem
Rotatable Bond Count3 PubChem
Exact Mass321.036 g/molPubChem
Monoisotopic Mass321.036 g/molPubChem
Topological Polar Surface Area181 A^2PubChem
Heavy Atom Count21 PubChem
Formal Charge-2 PubChem
Complexity520 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count4 PubChem
Undefined Atom Stereocenter Count0 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
    Spectra
    Spectra: Not Available
    References
    References:
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    BIGG2225045
    CHEMSPIDER5447162
    CHEBI60875
    PUBCHEM7098661
    LIGAND-CPDC05822
    CAS84-52-6