CHEBI:16691 - dethiobiotin

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ChEBI Name dethiobiotin ChEBI ID CHEBI:16691 Definition A hexanoic acid having a 5-methyl-2-oxoimidazolidin-4-yl group at the 6-position. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:4457, CHEBI:14132, CHEBI:23649 Supplier Information ZINC000001530092 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C10H18N2O3 Net Charge 0 Average Mass 214.26160 Monoisotopic Mass 214.13174 InChI InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15) InChIKey AUTOLBMXDDTRRT-UHFFFAOYSA-N SMILES CC1NC(=O)NC1CCCCCC(O)=O Metabolite of Species Details Escherichia coli (NCBI:txid562) See: DOI Escherichia coli (NCBI:txid562) 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 dethiobiotin (CHEBI:16691) has functional parent hexanoic acid (CHEBI:30776) dethiobiotin (CHEBI:16691) has role Escherichia coli metabolite (CHEBI:76971) dethiobiotin (CHEBI:16691) is a imidazolidinone (CHEBI:55370) dethiobiotin (CHEBI:16691) is a monocarboxylic acid (CHEBI:25384) dethiobiotin (CHEBI:16691) is a ureas (CHEBI:47857) dethiobiotin (CHEBI:16691) is conjugate acid of dethiobiotin(1−) (CHEBI:57861) Incoming (4R,5R)-dethiobiotin (CHEBI:36998) is a dethiobiotin (CHEBI:16691) (4R,5S)-dethiobiotin (CHEBI:42280) is a dethiobiotin (CHEBI:16691) (4S,5R)-dethiobiotin (CHEBI:37000) is a dethiobiotin (CHEBI:16691) dethiobiotin(1−) (CHEBI:57861) is conjugate base of dethiobiotin (CHEBI:16691) IUPAC Name 6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoic acid Synonyms Sources Desthiobiotin KEGG COMPOUND Dethiobiotin KEGG COMPOUND Manual Xrefs Databases C00000757 KNApSAcK C01909 KEGG COMPOUND HMDB0003581 HMDB View more database links Registry Numbers Types Sources 177518 Beilstein Registry Number Beilstein 533-48-2 CAS Registry Number KEGG COMPOUND 84958 Reaxys Registry Number Reaxys Citations Types Sources 12730407 PubMed citation Europe PMC 21621502 PubMed citation Europe PMC 22326745 PubMed citation Europe PMC Last Modified 16 July 2020