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CHEBI:62193 - biotin sulfoxide

ChEBI IDCHEBI:62193
ChEBI Namebiotin sulfoxide
Stars
DefinitionA sulfoxide that is the S-oxide of biotin.
Last Modified12 June 2013
SubmitterSteve
DownloadsMolfile
FormulaC10H16N2O4S
Net Charge0
Average Mass260.315
Monoisotopic Mass260.08308
SMILES[H][C@]12CS(=O)[C@@H](CCCCC(=O)O)[C@@]1([H])NC(=O)N2
InChIInChI=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
InChIKeyKCSKCIQYNAOBNQ-YBSFLMRUSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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)
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 Relation(s)
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-oxideChEBI
Registry NumbersSources
Reaxys:4492830Reaxys
CAS:10406-89-0ChemIDplus
Citations