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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:74092 - biotin sulfone
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ChEBI Ontology
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ChEBI Name
biotin sulfone
ChEBI ID
CHEBI:74092
Definition
A member of the class of biotins that is biotin sulfoxide with a sulfone group replacing the sulfoxide.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C10H16N2O5S
Net Charge
0
Average Mass
276.30900
Monoisotopic Mass
276.07799
InChI
InChI=1S/C10H16N2O5S/c13-
8(14)
4-
2-
1-
3-
7-
9-
6(5-
18(7,16)
17)
11-
10(15)
12-
9/h6-
7,9H,1-
5H2,(H,13,14)
(H2,11,12,15)
/t6-
,7-
,9-
/m0/s1
InChIKey
QPFQYMONYBAUCY-ZKWXMUAHSA-N
SMILES
[H][C@]12CS(=O)(=O)[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2
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):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
biotin sulfone (
CHEBI:74092
)
has functional parent
biotin sulfoxide (
CHEBI:62193
)
biotin sulfone (
CHEBI:74092
)
has role
metabolite (
CHEBI:25212
)
biotin sulfone (
CHEBI:74092
)
is a
biotins (
CHEBI:51570
)
biotin sulfone (
CHEBI:74092
)
is a
sulfone (
CHEBI:35850
)
IUPAC Name
5-
[(3a
S
,4
S
,6a
R
)-
5,5-
dioxido-
2-
oxohexahydro-
1
H
-
thieno[3,4-
d
]imidazol-
4-
yl]pentanoic acid
Synonyms
Sources
5,5-Dioxide Biotin
HMDB
[3a
S
-
(3aa,4b,6aa)]-
5,5-
dioxide-
hexahydro-
2-
oxo-
1
H
-
Thieno[3,4-
D
]imidazole-
4-
pentanoic acid
HMDB
Manual Xref
Database
HMDB0004818
HMDB
View more database links
Registry Numbers
Types
Sources
33724
Reaxys Registry Number
Reaxys
40720-05-6
CAS Registry Number
ChemIDplus
Citations
Types
Sources
13510484
PubMed citation
Europe PMC
14350781
PubMed citation
Europe PMC
18141516
PubMed citation
Europe PMC
18788729
PubMed citation
Europe PMC
20985652
PubMed citation
Europe PMC
9022537
PubMed citation
Europe PMC
Last Modified
23 October 2015