CHEBI:149473 - (4R,5S)-dethiobiotin(1−)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name (4R,5S)-dethiobiotin(1−) ChEBI ID CHEBI:149473 ChEBI ASCII Name (4R,5S)-dethiobiotin(1-) Definition A monocarboxylic acid anion that is the conjugate base of (4R,5S)-dethiobiotin, arising from the deprotonation of the carboxy group. Major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen 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 C10H17N2O3 Net Charge -1 Average Mass 213.258 Monoisotopic Mass 213.12447 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)/p-1/t7-,8+/m0/s1 InChIKey AUTOLBMXDDTRRT-JGVFFNPUSA-M SMILES [C@@H]1([C@H](NC(=O)N1)CCCCCC(=O)[O-])C ChEBI Ontology Outgoing (4R,5S)-dethiobiotin(1−) (CHEBI:149473) is a monocarboxylic acid anion (CHEBI:35757) (4R,5S)-dethiobiotin(1−) (CHEBI:149473) is conjugate base of (4R,5S)-dethiobiotin (CHEBI:42280) Incoming (4R,5S)-dethiobiotin (CHEBI:42280) is conjugate acid of (4R,5S)-dethiobiotin(1−) (CHEBI:149473) IUPAC Name 6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoate Synonym Source (4R,5S)-dethiobiotin UniProt Manual Xref Database DETHIOBIOTIN MetaCyc View more database links Last Modified 16 July 2020