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> Main
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
214.13174
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:txid562)
See:
DOI
Escherichia coli
(NCBI:txid562)
See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted 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
(4
R
,5
R
)-dethiobiotin (
CHEBI:36998
)
is a
dethiobiotin (
CHEBI:16691
)
(4
R
,5
S
)-dethiobiotin (
CHEBI:42280
)
is a
dethiobiotin (
CHEBI:16691
)
(4
S
,5
R
)-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
Manual Xrefs
Databases
C00000757
KNApSAcK
C01909
KEGG COMPOUND
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
Types
Sources
12730407
PubMed citation
Europe PMC
21621502
PubMed citation
Europe PMC
22326745
PubMed citation
Europe PMC
Last Modified
16 July 2020