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CHEBI:73388 - caldariellaquinol

ChEBI IDCHEBI:73388
ChEBI Namecaldariellaquinol
Stars
DefinitionA 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
Last Modified24 November 2014
SubmitterKAX
DownloadsMolfile
FormulaC39H68O2S2
Net Charge0
Average Mass633.105
Monoisotopic Mass632.46607
SMILESCSc1c(CCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C)c(O)c2sccc2c1O
InChIInChI=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
InChIKeyUVCQOKDZGIAHDG-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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
UniProt Name  Source
caldariellaquinolUniProt
Manual XrefsDatabases
CPD-15301MetaCyc
Citations