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

ChEBI IDCHEBI:149473
ChEBI Name(4R,5S)-dethiobiotin(1−)
Stars
ASCII Name(4R,5S)-dethiobiotin(1-)
DefinitionA 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.
Last Modified16 July 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC10H17N2O3
Net Charge-1
Average Mass213.257
Monoisotopic Mass213.12447
SMILESC[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)[O-]
InChIInChI=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
InChIKeyAUTOLBMXDDTRRT-JGVFFNPUSA-M
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
(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
UniProt Name  Source
(4R,5S)-dethiobiotinUniProt
Manual XrefsDatabases
DETHIOBIOTINMetaCyc