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(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene


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Chemical Component Summary

Name(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
Synonymssqualene
Identifiers(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
FormulaC30 H50
Molecular Weight410.718
TypeNON-POLYMER
Isomeric SMILESCC(=CCC/C(=C/CC/C(=C/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)C
InChIInChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+
InChIKeyYYGNTYWPHWGJRM-AAJYLUCBSA-N

Chemical Details

Formal Charge0
Atom Count80
Chiral Atom Count0
Bond Count79
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB11460 
NameSqualene
Groups
  • vet_approved
  • approved
DescriptionSqualene is originally obtained from shark liver oil. It is a natural 30-carbon isoprenoid compound and intermediate metabolite in the synthesis of cholesterol. It is not susceptible to lipid peroxidation and provides skin protection. It is ubiquitously distributed in human tissues where it is transported in serum generally in association with very low density lipoproteins. Squalene is investigated as an adjunctive cancer therapy.
Synonyms
  • Spinacene
  • Supraene
  • (E,E,E,E)-Squalene
  • Squalene
  • (all-E)-2,6,10,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaene
Brand Names
  • Fluad Tetra
  • Arepanrix H5n1
Categories
  • Alkenes
  • Hydrocarbons, Acyclic
  • Polyenes
  • Terpenes
  • Triterpenes
CAS number111-02-4

Related Resource References

Resource NameReference
PubChem 638072
ChEMBL CHEMBL458402
ChEBI CHEBI:15440