biotin sulfoxide (CHEBI:62193)

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ChEBI Name	biotin sulfoxide

ChEBI ID	CHEBI:62193

Definition	A sulfoxide that is the S-oxide of biotin.

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

Supplier Information

Download	Molfile XML SDF

Formula

C10H16N2O4S

Net Charge

Average Mass

260.31000

Monoisotopic Mass

260.08308

InChI

InChI=1S/C10H16N2O4S/c13-8(14)4-2-1-3-7-9-6(5-17(7)16)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-,17?/m0/s1

InChIKey

KCSKCIQYNAOBNQ-YBSFLMRUSA-N

SMILES

[H][C@]12CS(=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.

ChEBI Ontology
Outgoing	biotin sulfoxide (CHEBI:62193) has role metabolite (CHEBI:25212) biotin sulfoxide (CHEBI:62193) is a biotins (CHEBI:51570) biotin sulfoxide (CHEBI:62193) is a sulfoxide (CHEBI:22063) biotin sulfoxide (CHEBI:62193) is conjugate acid of biotinate sulfoxide(1−) (CHEBI:62046)

Incoming	biotin sulfone (CHEBI:74092) has functional parent biotin sulfoxide (CHEBI:62193) biotinate sulfoxide(1−) (CHEBI:62046) is conjugate base of biotin sulfoxide (CHEBI:62193)

IUPAC Name

5-[(3aS,4S,6aR)-5-oxido-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid

Synonym	Source
biotin S-oxide	ChEBI

Last Modified

12 June 2013