CHEBI:74092 - biotin sulfone

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ChEBI Name biotin sulfone
ChEBI ID CHEBI:74092
Definition A member of the class of biotins that is biotin sulfoxide with a sulfone group replacing the sulfoxide.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C10H16N2O5S
Net Charge 0
Average Mass 276.30900
Monoisotopic Mass 276.07799
InChI InChI=1S/C10H16N2O5S/c13-8(14)4-2-1-3-7-9-6(5-18(7,16)17)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
InChIKey QPFQYMONYBAUCY-ZKWXMUAHSA-N
SMILES [H][C@]12CS(=O)(=O)[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing biotin sulfone (CHEBI:74092) has functional parent biotin sulfoxide (CHEBI:62193)
biotin sulfone (CHEBI:74092) has role metabolite (CHEBI:25212)
biotin sulfone (CHEBI:74092) is a biotins (CHEBI:51570)
biotin sulfone (CHEBI:74092) is a sulfone (CHEBI:35850)
IUPAC Name
5-[(3aS,4S,6aR)-5,5-dioxido-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
Synonyms Sources
5,5-Dioxide Biotin HMDB
[3aS-(3aa,4b,6aa)]-5,5-dioxide-hexahydro-2-oxo-1H-Thieno[3,4-D]imidazole-4-pentanoic acid HMDB
Manual Xref Database
HMDB0004818 HMDB
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Registry Numbers Types Sources
33724 Reaxys Registry Number Reaxys
40720-05-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
13510484 PubMed citation Europe PMC
14350781 PubMed citation Europe PMC
18141516 PubMed citation Europe PMC
18788729 PubMed citation Europe PMC
20985652 PubMed citation Europe PMC
9022537 PubMed citation Europe PMC
Last Modified
23 October 2015