Human Metabolome Database Version 3.5

Showing metabocard for Carbon tetrachloride (HMDB31330)

Record Information
Version 3.5
Creation Date 2012-09-11 11:42:21 -0600
Update Date 2013-06-30 06:19:59 -0600
HMDB ID HMDB31330
Secondary Accession Numbers None
Metabolite Identification
Common Name Carbon tetrachloride
Description Grain fumigant Carbon tetrachloride has been shown to exhibit anesthetic, metal chelator and hepatoprotective functions (PMID 6287886 Link_out, 6893049 Link_out, 18783728 Link_out). Carbon tetrachloride belongs to the family of Chlorocarbons. These are Any Compound consisting wholly of chlorine and carbon. (Reference: [1] IUPAC. Compendium of Chemical Terminology, 2nd ed. (the "Gold Book"). Compiled by A. D. McNaught and A. Wilkinson. Blackwell Scientific Publications, Oxford (1997). XML on-line corrected version: http://goldbook.iupac.org (2006-) created by M. Nic, J. Jirat, B. Kosata; updates compiled by A. Jenkins. ISBN 0-9678550-9-8. doi:10.1351/goldbook. (Or PAC, 1995, 67, 1307 (Glossary of class names of organic compounds and reactivity intermediates based on structure (IUPAC Recommendations 1995)) on page 1328)).
Structure Thumb
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Display: 2D Structure | 3D Structure
Synonyms
  1. Carbon chloride?
  2. Carbon tet
  3. Carbontetrachloride
  4. F10
  5. Freon 10
  6. Halon 104
  7. Halon 1040
  8. HSDB 53
  9. Methane tetrachloride
  10. Necatorine
  11. Perchloromethane
  12. R10
  13. Refrigerant R10
  14. Tetra
  15. Tetrachloro-Methane
  16. Tetrachloromethane, 9CI
  17. Tetrasol
  18. Thawpit
  19. Univerm
  20. Vermoestricid
Chemical Formula CCl4
Average Molecular Weight 153.823
Monoisotopic Molecular Weight 151.875410828
IUPAC Name tetrachloromethane
Traditional IUPAC Name carbona
CAS Registry Number 56-23-5
SMILES ClC(Cl)(Cl)Cl
InChI Identifier InChI=1S/CCl4/c2-1(3,4)5
InChI Key VZGDMQKNWNREIO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom Organic Compounds
Super Class Organic Halides
Class Organochlorides
Sub Class Chlorocarbons
Other Descriptors
  • Aliphatic Acyclic Compounds
  • Organic Compounds
  • a small molecule(Cyc)
  • chlorocarbon(ChEBI)
  • chloromethanes(ChEBI)
Substituents
  • N/A
Direct Parent Chlorocarbons
Ontology
Status Expected and Not Quantified
Origin
  • Endogenous
  • Food
Biofunction
  • anesthetic
  • hepatoprotective
  • metal chelator
Application
  • Nutrient
Cellular locations
  • Membrane
Physical Properties
State Liquid
Experimental Properties
Property Value Reference
Melting Point 28.6 °C Not Available
Boiling Point Not Available Not Available
Water Solubility 0.793 mg/mL at 25 °C Not Available
LogP 2.83 Not Available
Predicted Properties
Property Value Source
LogP 2.64 ALOGPS
LogP 3 ChemAxon
LogS -1.93 ALOGPS
Hydrogen Acceptor Count 0 ChemAxon
Hydrogen Donor Count 0 ChemAxon
Polar Surface Area 0 A2 ChemAxon
Rotatable Bond Count 0 ChemAxon
Refractivity 2.3 ChemAxon
Polarizability 10.5 ChemAxon
Formal Charge 0 ChemAxon
Physiological Charge 0 ChemAxon
Spectra
Not Available
Biological Properties
Cellular Locations
  • Membrane
Biofluid Locations Not Available
Tissue Location Not Available
Pathways Not Available
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease References None
Associated OMIM IDs None
DrugBank ID Not Available
DrugBank Metabolite ID Not Available
Phenol Explorer Compound ID Not Available
Phenol Explorer Metabolite ID Not Available
FoodDB ID FDB003393
KNApSAcK ID Not Available
Chemspider ID 5730 Link_out
KEGG Compound ID C07561 Link_out
BioCyc ID Not Available
BiGG ID Not Available
Wikipedia Link Carbon_tetrachloride Link_out
NuGOwiki Link HMDB31330 Link_out
Metagene Link HMDB31330 Link_out
METLIN ID Not Available
PubChem Compound 5943 Link_out
PDB ID Not Available
ChEBI ID 27385 Link_out
References
Synthesis Reference Not Available
Material Safety Data Sheet (MSDS) Not Available
General References
  1. Plummer JL, Beckwith AL, Bastin FN, Adams JF, Cousins MJ, Hall P: Free radical formation in vivo and hepatotoxicity due to anesthesia with halothane. Anesthesiology. 1982 Sep;57(3):160-6. Pubmed: 6287886 Link_out
  2. Drake HL, Hu SI, Wood HG: Purification of carbon monoxide dehydrogenase, a nickel enzyme from Clostridium thermocaceticum. J Biol Chem. 1980 Aug 10;255(15):7174-80. Pubmed: 6893049 Link_out
  3. Zeashan H, Amresh G, Singh S, Rao CV: Hepatoprotective activity of Amaranthus spinosus in experimental animals. Food Chem Toxicol. 2008 Nov;46(11):3417-21. doi: 10.1016/j.fct.2008.08.013. Epub 2008 Aug 22. Pubmed: 18783728 Link_out
  4. Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.