CHEBI:73388 - caldariellaquinol

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ChEBI Name caldariellaquinol
ChEBI ID CHEBI:73388
Definition A 1-benzothiophene that is 1-benzothiophene-4,7-diol bearing additional methylthio and 3,7,11,15,19,23-hexamethyltetracosyl substituents at positions 5 and 6 respectively
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
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Formula C39H68O2S2
Net Charge 0
Average Mass 633.08600
Monoisotopic Mass 632.46607
InChI InChI=1S/C39H68O2S2/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-33(7)24-25-34-37(41)39-35(26-27-43-39)36(40)38(34)42-8/h26-33,40-41H,9-25H2,1-8H3
InChIKey UVCQOKDZGIAHDG-UHFFFAOYSA-N
SMILES CSc1c(CCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C)c(O)c2sccc2c1O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing caldariellaquinol (CHEBI:73388) has role metabolite (CHEBI:25212)
caldariellaquinol (CHEBI:73388) is a 1-benzothiophenes (CHEBI:38836)
caldariellaquinol (CHEBI:73388) is a hydroquinones (CHEBI:24646)
caldariellaquinol (CHEBI:73388) is a organic sulfide (CHEBI:16385)
IUPAC Name
6-(3,7,11,15,19,23-hexamethyltetracosyl)-5-(methylsulfanyl)-1-benzothiophene-4,7-diol
Synonym Source
caldariellaquinol UniProt
Manual Xref Database
CPD-15301 MetaCyc
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Citation Waiting for Citations Type Source
2512282 PubMed citation SUBMITTER
Last Modified
24 November 2014