Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:133388 - 9-mercaptodethiobiotin
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
9-mercaptodethiobiotin
ChEBI ID
CHEBI:133388
Definition
A member of the class of imidazolidinones that is dethiobiotin carrying a mercapto substituent at position 9. An intermediate in the biosynthesis of biotin.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C10H18N2O3S
Net Charge
0
Average Mass
246.328
Monoisotopic Mass
246.10381
InChI
InChI=1S/C10H18N2O3S/c13-
9(14)
5-
3-
1-
2-
4-
7-
8(6-
16)
12-
10(15)
11-
7/h7-
8,16H,1-
6H2,(H,13,14)
(H2,11,12,15)
/t7-
,8+/m1/s1
InChIKey
ZARFDBYKHCOTRH-SFYZADRCSA-N
SMILES
SC[C@@H]1NC(=O)N[C@@H]1CCCCCC(O)=O
Metabolite of Species
Details
Glycine max
(NCBI:txid3847)
Found in seed
(BTO:0001226)
. See:
MetaboLights Study
Glycine max
(NCBI:txid3847)
Found in seed
(BTO:0001226)
. See:
PubMed
Glycine max
(NCBI:txid3847)
Found in seed
(BTO:0001226)
. See:
MetaboLights Study
Escherichia coli
(NCBI:txid562)
of strain TK101pI 3 BLS 2 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
9-mercaptodethiobiotin (
CHEBI:133388
)
has functional parent
(4
R
,5
S
)-dethiobiotin (
CHEBI:42280
)
9-mercaptodethiobiotin (
CHEBI:133388
)
has role
Escherichia coli
metabolite (
CHEBI:76971
)
9-mercaptodethiobiotin (
CHEBI:133388
)
is a
imidazolidinone (
CHEBI:55370
)
9-mercaptodethiobiotin (
CHEBI:133388
)
is a
monocarboxylic acid (
CHEBI:25384
)
9-mercaptodethiobiotin (
CHEBI:133388
)
is a
thiol (
CHEBI:29256
)
9-mercaptodethiobiotin (
CHEBI:133388
)
is a
ureas (
CHEBI:47857
)
IUPAC Name
6-[(4
R
,5
R
)-2-oxo-5-(sulfanylmethyl)imidazolidin-4-yl]hexanoic acid
Synonym
Source
9-Mercaptodesthiobiotin
ChemIDplus
Manual Xrefs
Databases
166932
ChemSpider
CPD-5662
MetaCyc
View more database links
Registry Number
Type
Source
139936-57-5
CAS Registry Number
ChemIDplus
Citations
Types
Sources
15610037
PubMed citation
Europe PMC
16042606
PubMed citation
Europe PMC
18690713
PubMed citation
Europe PMC
19199517
PubMed citation
Europe PMC
21859080
PubMed citation
Europe PMC
22326745
PubMed citation
Europe PMC
22607542
PubMed citation
Europe PMC
8223585
PubMed citation
Europe PMC
Last Modified
27 February 2017