dibenzothiophene (CHEBI:23681)

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ChEBI Name	dibenzothiophene

ChEBI ID	CHEBI:23681

Definition	A mancude organic heterotricyclic parent that consists of a thiophene ring flanked by two benzene rings ortho-fused across the 2,3- and 4,5-positions.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information	ChemicalBook:CB2341914, eMolecules:30157430, eMolecules:8321514, ZINC000004245654

Download	Molfile XML SDF

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Wikipedia	License
Octanoyl-coenzyme A is the endpoint of beta oxidation in peroxisomes. It is produced alongside acetyl-CoA and transferred to the mitochondria to be further oxidized into acetyl-CoA.
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Formula

C12H8S

Net Charge

Average Mass

184.258

Monoisotopic Mass

184.03467

InChI

InChI=1S/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H

InChIKey

IYYZUPMFVPLQIF-UHFFFAOYSA-N

SMILES

C1=2C=3C=CC=CC3SC1=CC=CC2

Roles Classification
Application(s):	keratolytic drug A drug that softens, separates, and causes desquamation of the cornified epithelium or horny layer of skin. Keratolytic drugs are used to expose mycelia of infecting fungi or to treat corns, warts, and certain other skin diseases.

ChEBI Ontology
Outgoing	dibenzothiophene (CHEBI:23681) has role keratolytic drug (CHEBI:50176) dibenzothiophene (CHEBI:23681) is a dibenzothiophenes (CHEBI:23684) dibenzothiophene (CHEBI:23681) is a mancude organic heterotricyclic parent (CHEBI:36416)

Incoming	dibenzothiophene 5-oxide (CHEBI:23683) has functional parent dibenzothiophene (CHEBI:23681) dibenzothiophene sulfone (CHEBI:90356) has functional parent dibenzothiophene (CHEBI:23681) 1,2-dihydroxydibenzothiophene (CHEBI:17212) has parent hydride dibenzothiophene (CHEBI:23681)

IUPAC Name

dibenzo[b,d]thiophene

Citations

Last Modified

12 January 2016