CHEBI:66216 - tetrahydroxysqualene

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ChEBI Name tetrahydroxysqualene
ChEBI ID CHEBI:66216
Definition A triterpenoid that is squalene substituted by four hydroxy groups. It is isolated from Rhus taitensis and has been shown to exhibit antimycobacterial activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H50O4
Net Charge 0
Average Mass 474.71560
Monoisotopic Mass 474.37091
InChI InChI=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+
InChIKey YMMHDITUHQNNKU-DKTKHUEWSA-N
SMILES C\C(CC\C=C(/C)CCC=C(CO)CO)=C/CC\C=C(/C)CC\C=C(/C)CCC=C(CO)CO
Metabolite of Species Details
Rhus taitensis (NCBI:txid384978) Found in leaf (BTO:0000713). See: PubMed
Rhus taitensis (NCBI:txid384978) Found in twig (BTO:0001411). See: PubMed
Roles Classification
Biological Role(s): 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.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
19220861 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
18710283 PubMed citation Europe PMC
Last Modified
16 September 2013