CHEBI:133388 - 9-mercaptodethiobiotin

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ChEBI Name 9-mercaptodethiobiotin ChEBI ID CHEBI:133388 Definition A member of the class of imidazolidinones that is dethiobiotin carrying a mercapto substituent at position 9. An intermediate in the biosynthesis of biotin. Stars This entity has been manually annotated by the ChEBI Team. 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 C10H18N2O3S Net Charge 0 Average Mass 246.328 Monoisotopic Mass 246.10381 InChI InChI=1S/C10H18N2O3S/c13-9(14)5-3-1-2-4-7-8(6-16)12-10(15)11-7/h7-8,16H,1-6H2,(H,13,14)(H2,11,12,15)/t7-,8+/m1/s1 InChIKey ZARFDBYKHCOTRH-SFYZADRCSA-N SMILES SC[C@@H]1NC(=O)N[C@@H]1CCCCCC(O)=O Metabolite of Species Details Glycine max (NCBI:txid3847) Found in seed (BTO:0001226). See: MetaboLights Study Glycine max (NCBI:txid3847) Found in seed (BTO:0001226). See: PubMed Glycine max (NCBI:txid3847) Found in seed (BTO:0001226). See: MetaboLights Study Escherichia coli (NCBI:txid562) of strain TK101pI 3 BLS 2 See: PubMed Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. View more via ChEBI Ontology ChEBI Ontology Outgoing 9-mercaptodethiobiotin (CHEBI:133388) has functional parent (4R,5S)-dethiobiotin (CHEBI:42280) 9-mercaptodethiobiotin (CHEBI:133388) has role Escherichia coli metabolite (CHEBI:76971) 9-mercaptodethiobiotin (CHEBI:133388) is a imidazolidinone (CHEBI:55370) 9-mercaptodethiobiotin (CHEBI:133388) is a monocarboxylic acid (CHEBI:25384) 9-mercaptodethiobiotin (CHEBI:133388) is a thiol (CHEBI:29256) 9-mercaptodethiobiotin (CHEBI:133388) is a ureas (CHEBI:47857) IUPAC Name 6-[(4R,5R)-2-oxo-5-(sulfanylmethyl)imidazolidin-4-yl]hexanoic acid Synonym Source 9-Mercaptodesthiobiotin ChemIDplus Manual Xrefs Databases 166932 ChemSpider CPD-5662 MetaCyc View more database links Registry Number Type Source 139936-57-5 CAS Registry Number ChemIDplus Citations Types Sources 15610037 PubMed citation Europe PMC 16042606 PubMed citation Europe PMC 18690713 PubMed citation Europe PMC 19199517 PubMed citation Europe PMC 21859080 PubMed citation Europe PMC 22326745 PubMed citation Europe PMC 22607542 PubMed citation Europe PMC 8223585 PubMed citation Europe PMC Last Modified 27 February 2017