CHEBI:62046 - biotinate sulfoxide(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name biotinate sulfoxide(1−)
ChEBI ID CHEBI:62046
ChEBI ASCII Name biotinate sulfoxide(1-)
Definition A monocarboxylic acid anion that is the conjugate base of biotin sulfoxide; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Eugeni Belda
Supplier Information
Download Molfile XML SDF
Formula C10H15N2O4S
Net Charge -1
Average Mass 259.30200
Monoisotopic Mass 259.075
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)/p-1/t6-,7-,9-,17?/m0/s1
InChIKey KCSKCIQYNAOBNQ-YBSFLMRUSA-M
SMILES [H][C@]12CS(=O)[C@@H](CCCCC([O-])=O)[C@@]1([H])NC(=O)N2
ChEBI Ontology
Outgoing 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 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 Sources
biotin sulfoxide SUBMITTER
biotinate S-oxide ChEBI
biotinate sulfoxide UniProt
D-biotin sulfoxide ChEBI
Manual Xref Database
CPD-722 MetaCyc
View more database links
Last Modified
23 October 2012