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

ChEBI IDCHEBI:42280
ChEBI Name(4R,5S)-dethiobiotin
Stars
ASCII Name(4R,5S)-dethiobiotin
DefinitionThe (4R,5S)-isomer of dethiobiotin.
Secondary ChEBI IDsCHEBI:36990, CHEBI:42279
Last Modified16 July 2020
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC10H18N2O3
Net Charge0
Average Mass214.265
Monoisotopic Mass214.13174
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)/t7-,8+/m0/s1
InChIKeyAUTOLBMXDDTRRT-JGVFFNPUSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
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  Source
(+)-dethiobiotinChemIDplus
(4R-cis)-5-methyl-2-oxo-4-imidazolidinehexanoic acidChemIDplus
(4R,5S)-5-methyl-2-oxo-4-imidazolidinehexanoic acidChemIDplus
desthiobiotinChemIDplus
d-dethiobiotinChemIDplus
Manual XrefsDatabases
DTBPDBeChem
HMDB0003581HMDB
Registry NumbersSources
Beilstein:84958Beilstein
CAS:533-48-2ChemIDplus
Citations