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CHEBI:74092 - biotin sulfone

ChEBI IDCHEBI:74092
ChEBI Namebiotin sulfone
Stars
DefinitionA member of the class of biotins that is biotin sulfoxide with a sulfone group replacing the sulfoxide.
Last Modified23 October 2015
Submittermwilliams
DownloadsMolfile
FormulaC10H16N2O5S
Net Charge0
Average Mass276.314
Monoisotopic Mass276.07799
SMILES[H][C@]12CS(=O)(=O)[C@@H](CCCCC(=O)O)[C@@]1([H])NC(=O)N2
InChIInChI=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
InChIKeyQPFQYMONYBAUCY-ZKWXMUAHSA-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 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  Source
5,5-Dioxide BiotinHMDB
[3aS-(3aa,4b,6aa)]-5,5-dioxide-hexahydro-2-oxo-1H-Thieno[3,4-D]imidazole-4-pentanoic acidHMDB
Manual XrefsDatabases
HMDB0004818HMDB
Registry NumbersSources
Reaxys:33724Reaxys
CAS:40720-05-6ChemIDplus
Citations