CHEBI:16691 - dethiobiotin

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ChEBI Name dethiobiotin
ChEBI ID CHEBI:16691
Definition A hexanoic acid having a 5-methyl-2-oxoimidazolidin-4-yl group at the 6-position.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:4457, CHEBI:14132, CHEBI:23649
Supplier Information
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Formula C10H18N2O3
Net Charge 0
Average Mass 214.26160
Monoisotopic Mass 214.132
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)
InChIKey AUTOLBMXDDTRRT-UHFFFAOYSA-N
SMILES CC1NC(=O)NC1CCCCCC(O)=O
Metabolite of Species Details
Escherichia coli (NCBI:562) See: DOI
Escherichia coli (NCBI:562) See: PubMed
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 (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 Sources
Desthiobiotin KEGG COMPOUND
Dethiobiotin KEGG COMPOUND
Database Links Databases
C00000757 KNApSAcK
C01909 KEGG COMPOUND
DETHIOBIOTIN MetaCyc
HMDB0003581 HMDB
View more database links
Registry Numbers Types Sources
177518 Beilstein Registry Number Beilstein
533-48-2 CAS Registry Number KEGG COMPOUND
84958 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
12730407 PubMed citation Europe PMC
21621502 PubMed citation Europe PMC
22326745 PubMed citation Europe PMC
Last Modified
25 January 2016