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CHEBI:16691 - dethiobiotin

ChEBI IDCHEBI:16691
ChEBI Namedethiobiotin
Stars
DefinitionA hexanoic acid having a 5-methyl-2-oxoimidazolidin-4-yl group at the 6-position.
Secondary ChEBI IDsCHEBI:4457, CHEBI:14132, CHEBI:23649
Last Modified16 July 2020
DownloadsMolfile
FormulaC10H18N2O3
Net Charge0
Average Mass214.265
Monoisotopic Mass214.13174
SMILESCC1NC(=O)NC1CCCCCC(=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)
InChIKeyAUTOLBMXDDTRRT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562)
- DOI (10.1016/0006-291X(79)91731-5)
- PubMed (21988831)
Roles Classification
Chemical Role:
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)
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 Relation(s)
(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  Source
DethiobiotinKEGG COMPOUND
DesthiobiotinKEGG COMPOUND
Manual XrefsDatabases
C01909KEGG COMPOUND
HMDB0003581HMDB
C00000757KNApSAcK
Registry NumbersSources
Beilstein:177518Beilstein
Reaxys:84958Reaxys
CAS:533-48-2KEGG COMPOUND
Citations