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CHEBI:66216 - tetrahydroxysqualene

ChEBI IDCHEBI:66216
ChEBI Nametetrahydroxysqualene
Stars
DefinitionA triterpenoid that is squalene substituted by four hydroxy groups. It is isolated from Rhus taitensis and has been shown to exhibit antimycobacterial activity.
Last Modified16 September 2013
DownloadsMolfile
FormulaC30H50O4
Net Charge0
Average Mass474.726
Monoisotopic Mass474.37091
SMILESC/C(=C\CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(CO)CO)CCC=C(CO)CO
InChIInChI=1S/C30H50O4/c1-25(13-7-15-27(3)17-9-19-29(21-31)22-32)11-5-6-12-26(2)14-8-16-28(4)18-10-20-30(23-33)24-34/h11-12,15-16,19-20,31-34H,5-10,13-14,17-18,21-24H2,1-4H3/b25-11+,26-12+,27-15+,28-16+
InChIKeyYMMHDITUHQNNKU-DKTKHUEWSA-N
Species of MetaboliteComponentSourceComments
Rhus taitensis (ncbitaxon:384978)
leaf (BTO:0000713) PubMed (18710283)
twig (BTO:0001411) PubMed (18710283)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antimycobacterial drug  A drug used to treat or prevent infections caused by Mycobacteria, a genus of actinobacteria. Aerobic and nonmotile, members of the genus include the pathogens responsible for causing tuberculosis and leprosy.
Application:
antimycobacterial drug  A drug used to treat or prevent infections caused by Mycobacteria, a genus of actinobacteria. Aerobic and nonmotile, members of the genus include the pathogens responsible for causing tuberculosis and leprosy.
ChEBI Ontology
Outgoing Relation(s)
tetrahydroxysqualene (CHEBI:66216) has parent hydride squalene (CHEBI:15440)
tetrahydroxysqualene (CHEBI:66216) has role antimycobacterial drug (CHEBI:64912)
tetrahydroxysqualene (CHEBI:66216) has role metabolite (CHEBI:25212)
tetrahydroxysqualene (CHEBI:66216) is a primary alcohol (CHEBI:15734)
tetrahydroxysqualene (CHEBI:66216) is a tetrol (CHEBI:33573)
tetrahydroxysqualene (CHEBI:66216) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(6E,10E,14E,18E)-2,23-bis(hydroxymethyl)-6,10,15,19-tetramethyltetracosa-2,6,10,14,18,22-hexaene-1,24-diol
Registry NumbersSources
Reaxys:19220861Reaxys
Citations