Chloride (YMDB01517)

Identification
YMDB IDYMDB01517
NameChloride
SpeciesSaccharomyces cerevisiae
StrainBrewer's yeast
DescriptionChloride ion, also known as chloride(1-) or Cl, belongs to the class of inorganic compounds known as homogeneous halogens. These are inorganic non-metallic compounds in which the largest atom is a nobel gas. Chloride ion is an extremely strong acidic compound (based on its pKa). Chloride ion exists in all living species, ranging from bacteria to humans. Chloride ion is a potentially toxic compound.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
  • Bertholite
  • Chloride
  • chloride ion
  • Chloride(1-)
  • chlorine
  • Chlorine anion
  • Chlorine, ion
  • Cl
  • Cl-
  • Diatomic chlorine
  • Dichlorine
  • L-Methylmethionine sulfonium chloride
  • Methylmethionine sulfonium chloride (JAN)
  • molecular chlorine
  • CL(-)
  • Chloor
  • Chlor
  • Chlore
  • Chlorine gas
  • Cl2
  • Chloride ion level
  • Ion level, chloride
  • Chlorides
  • Level, chloride ion
  • MSR-1 Protein, nicotiana plumbaginifolia
  • PLS216 Protein, nicotiana plumbaginifolia
CAS number16887-00-6
WeightAverage: 35.453
Monoisotopic: 34.968852707
InChI KeyVEXZGXHMUGYJMC-UHFFFAOYSA-M
InChIInChI=1S/ClH/h1H/p-1
IUPAC Namechloride
Traditional IUPAC Namechloride
Chemical FormulaCl
SMILES[Cl-]
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as homogeneous halogens. These are inorganic non-metallic compounds in which the largest atom is a nobel gas.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassHomogeneous halogens
Sub ClassNot Available
Direct ParentHomogeneous halogens
Alternative ParentsNot Available
Substituents
  • Homogeneous halogen
Molecular FrameworkNot Available
External Descriptors
Physical Properties
StateGas
Charge-1
Melting point-101 °C
Experimental Properties
PropertyValueReference
Water SolubilityNot AvailablePhysProp
LogPNot AvailablePhysProp
Predicted Properties
PropertyValueSource
logP0.61ChemAxon
pKa (Strongest Acidic)-7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity5.62 m³·mol⁻¹ChemAxon
Polarizability2.39 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular LocationsNot Available
Organoleptic PropertiesNot Available
SMPDB Pathways
Starch and sucrose metabolismPW002481 ThumbThumb?image type=greyscaleThumb?image type=simple
KEGG Pathways
Starch and sucrose metabolismec00500 Map00500
SMPDB ReactionsNot Available
KEGG ReactionsNot Available
Concentrations
Intracellular Concentrations
Intracellular ConcentrationSubstrateGrowth ConditionsStrainCitation
16020 ± 19 µM 100mM CsCl in 45mM Tris-sucinate buffer pH 4.5, 50g/L glucoseaerobicBrewer's yeastPMID: 777014
11748 ± 19 µM 100mM RbCl in 45mM Tris-sucinate buffer pH 4.5, 50g/L glucoseaerobicBrewer's yeastPMID: 777014
Conversion Details Here
Extracellular ConcentrationsNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
LC-MS/MSLC-MS/MS Spectrum - 40V, Positivesplash10-00di-0009000000-6fb9c471131023c432dfJSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - 30V, Positivesplash10-00di-0009000000-81a678b03172c0d73abfJSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - 10V, Positivesplash10-00di-0009000000-5df8560ed945712b8481JSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - 20V, Positivesplash10-00di-0009000000-80bd16051562ea5ee2b7JSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - 50V, Positivesplash10-0a4i-0009000000-cf0884f0a8324da15f74JSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-000i-9000000000-c4fb3d037fe2e74c2a5eJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-000i-9000000000-c4fb3d037fe2e74c2a5eJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-000i-9000000000-c4fb3d037fe2e74c2a5eJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-9000000000-d488e6da5c7ecb77869aJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-9000000000-d488e6da5c7ecb77869aJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-9000000000-d488e6da5c7ecb77869aJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-9000000000-c2fa753da65a4bac80a1JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-9000000000-c2fa753da65a4bac80a1JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-9000000000-c2fa753da65a4bac80a1JSpectraViewer
References
References:
  • Roomans, G. M., Seveus, L. A. (1976). "Subcellular localization of diffusible ions in the yeast Saccharomyces cerevisiae: quantitative microprobe analysis of thin freeze-dried sections." J Cell Sci 21:119-127.777014
Synthesis Reference:Weber, Rainer; Bulan, Andreas; Haas, Michel; Warsitz, Rafael; Werner, Knud. Production of chlorine from hydrogen chloride and oxygen. PCT Int. Appl. (2007), 30pp. CODEN: PIXXD2 WO 2007134861 A1 20071129 CAN 148:35931 AN 2007:1361621
External Links:
ResourceLink
CHEBI ID17996
HMDB IDHMDB00492
Pubchem Compound ID312
Kegg IDC00115
ChemSpider ID306
FOODB IDFDB006557
Wikipedia IDChloride
BioCyc IDCPD-4521