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CHEBI:62046 - biotinate sulfoxide(1−)

ChEBI IDCHEBI:62046
ChEBI Namebiotinate sulfoxide(1−)
Stars
ASCII Namebiotinate sulfoxide(1-)
DefinitionA monocarboxylic acid anion that is the conjugate base of biotin sulfoxide; major species at pH 7.3.
Last Modified23 October 2012
SubmitterEugeni Belda
DownloadsMolfile
FormulaC10H15N2O4S
Net Charge-1
Average Mass259.307
Monoisotopic Mass259.07580
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)/p-1/t6-,7-,9-,17?/m0/s1
InChIKeyKCSKCIQYNAOBNQ-YBSFLMRUSA-M
ChEBI Ontology
Outgoing Relation(s)
biotinate sulfoxide(1−) (CHEBI:62046) has functional parent biotinate (CHEBI:57586)
biotinate sulfoxide(1−) (CHEBI:62046) is a monocarboxylic acid anion (CHEBI:35757)
biotinate sulfoxide(1−) (CHEBI:62046) is conjugate base of biotin sulfoxide (CHEBI:62193)
Incoming Relation(s)
biotin sulfoxide (CHEBI:62193) is conjugate acid of biotinate sulfoxide(1−) (CHEBI:62046)
IUPAC Name 
5-[(3aS,4S,6aR)-5-oxido-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate
Synonyms  Source
biotin sulfoxideSUBMITTER
D-biotin sulfoxideChEBI
biotinate S-oxideChEBI
UniProt Name  Source
biotinate sulfoxideUniProt
Manual XrefsDatabases
CPD-722MetaCyc