Record Information
Version1.0
Creation date2011-09-21 00:13:18 UTC
Update date2015-07-21 06:57:11 UTC
Primary IDFDB022391
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameHypochlorite
DescriptionThe hypochlorite ion is ClO-. A hypochlorite compound is a chemical compound containing this group. Hypochlorite is a strong oxidant. About 28% of oxygen consumed by phagocytes upon activation participates in its generation. Hypochlorite reacts with H2O2 producing singlet oxygen (1O2) - a strong initiator of Lipid peroxidation. O-sub 2, along with H2O2 can serve as the substrate for myeloperoxidase. When this takes place, Hypochlorite is formed. Hypochlorite is able to modify antioxidants incorporated into lipoproteins such as Alpha-tocopherol, Beta-carotene, lycopene, and ubiquinol-10. It is also able to modify a number of proteins which possess antioxidant functions such as ceruloplasmin, transferrin, superoxide dismutase, and catalase. Active myeloperoxidase is found at sites of atherosclerotic damage to the arterial vessel wall in humans. Lipid peroxidation is known to contribute to the development of pathological processes, among them atherosclerosis. The present hypothesis is that blood lipoproteins modified by Lipid peroxidation play a key role in the pathogenesis of this disease. One of the possible reasons for the appearance of oxidized blood lipoproteins in blood is the interaction of native blood lipoproteins with the reactive oxygen species generated by stimulated neutrophils, monocytes and other cells. The main reaction of Hypochlorite with unsaturated lipid is probably the generation of chlorohydrins. However, this reaction is not accompanied by generation of free radicals and Lipid peroxidation. This reaction is accompanied by the production of free radicals (but not singlet oxygen), probably alkoxyl radicals, which may play a role in the initiation of Hypochlorite-induced Lipid peroxidation. (PMID: 9260000, Biofactors. 1997;6(2):181-90.) [HMDB]
CAS Number14380-61-1
Structure
Thumb
Synonyms
Predicted Properties
PropertyValueSource
Water Solubility378 g/LALOGPS
logP0.02ALOGPS
logP0.32ChemAxon
logS0.74ALOGPS
pKa (Strongest Acidic)7.93ChemAxon
pKa (Strongest Basic)-5.9ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area23.06 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity7.58 m³·mol⁻¹ChemAxon
Polarizability3.15 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaClO
IUPAC namehypochlorite
InChI IdentifierInChI=1S/ClO/c1-2/q-1
InChI KeyWQYVRQLZKVEZGA-UHFFFAOYSA-N
Isomeric SMILES[O-]Cl
Average Molecular Weight51.452
Monoisotopic Molecular Weight50.963767329
Classification
Description Belongs to the class of inorganic compounds known as non-metal hypochlorites. These are inorganic non-metallic compounds containing a hypochlorite as its largest oxoanion.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassNon-metal oxoanionic compounds
Sub ClassNon-metal hypochlorites
Direct ParentNon-metal hypochlorites
Alternative Parents
Substituents
  • Non-metal hypochlorite
  • Inorganic oxide
Molecular FrameworkNot Available
External Descriptors
Ontology
OntologyNo ontology term
Physico-Chemical Properties
Physico-Chemical Properties - Experimental
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0udi-9000000000-30b5dfc65e32826535ef2016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0udi-9000000000-30b5dfc65e32826535ef2016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0udi-9000000000-30b5dfc65e32826535ef2016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-9000000000-74fd8699c103cf6c6bda2016-08-04View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0002-9000000000-74fd8699c103cf6c6bda2016-08-04View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0002-9000000000-74fd8699c103cf6c6bda2016-08-04View Spectrum
NMRNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID61739
Pubchem Substance IDNot Available
ChEBI ID29222
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB01050
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDHypochlorite
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
Processing...
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference