CHEBI:42280 - (4R,5S)-dethiobiotin

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name (4R,5S)-dethiobiotin ChEBI ID CHEBI:42280 ChEBI ASCII Name (4R,5S)-dethiobiotin Definition The (4R,5S)-isomer of dethiobiotin. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:36990, CHEBI:42279 Supplier Information eMolecules:536925, ZINC000094437777 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)/t7-,8+/m0/s1 InChIKey AUTOLBMXDDTRRT-JGVFFNPUSA-N SMILES C[C@@H]1NC(=O)N[C@@H]1CCCCCC(O)=O 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. (via dethiobiotin ) View more via ChEBI Ontology ChEBI Ontology Outgoing (4R,5S)-dethiobiotin (CHEBI:42280) is a dethiobiotin (CHEBI:16691) (4R,5S)-dethiobiotin (CHEBI:42280) is conjugate acid of (4R,5S)-dethiobiotin(1−) (CHEBI:149473) (4R,5S)-dethiobiotin (CHEBI:42280) is enantiomer of (4S,5R)-dethiobiotin (CHEBI:37000) Incoming 9-mercaptodethiobiotin (CHEBI:133388) has functional parent (4R,5S)-dethiobiotin (CHEBI:42280) (4R,5S)-dethiobiotin(1−) (CHEBI:149473) is conjugate base of (4R,5S)-dethiobiotin (CHEBI:42280) (4S,5R)-dethiobiotin (CHEBI:37000) is enantiomer of (4R,5S)-dethiobiotin (CHEBI:42280) IUPAC Name 6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid Synonyms Sources (+)-dethiobiotin ChemIDplus (4R,5S)-5-methyl-2-oxo-4-imidazolidinehexanoic acid ChemIDplus (4R-cis)-5-methyl-2-oxo-4-imidazolidinehexanoic acid ChemIDplus d-dethiobiotin ChemIDplus desthiobiotin ChemIDplus Manual Xrefs Databases DTB PDBeChem HMDB0003581 HMDB View more database links Registry Numbers Types Sources 533-48-2 CAS Registry Number ChemIDplus 84958 Beilstein Registry Number Beilstein Citations Last Modified 16 July 2020