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 Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C10H15N2O4S Net Charge -1 Average Mass 259.30200 Monoisotopic Mass 259.07580 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