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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:79991 - GW 0742
Main
ChEBI Ontology
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ChEBI Name
GW 0742
ChEBI ID
CHEBI:79991
Stars
This entity has been manually annotated by a third party.
Supplier Information
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SDF
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Formula
C21H17F4NO3S2
Net Charge
0
Average Mass
471.48800
Monoisotopic Mass
471.05860
InChI
InChI=1S/C21H17F4NO3S2/c1-
11-
7-
14(4-
6-
17(11)
29-
9-
19(27)
28)
30-
10-
18-
12(2)
26-
20(31-
18)
13-
3-
5-
15(16(22)
8-
13)
21(23,24)
25/h3-
8H,9-
10H2,1-
2H3,(H,27,28)
InChIKey
HWVNEWGKWRGSRK-UHFFFAOYSA-N
SMILES
Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(c(F)c1)C(F)(F)F
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
GW 0742 (
CHEBI:79991
)
is a
monocarboxylic acid (
CHEBI:25384
)
Manual Xrefs
Databases
C15625
KEGG COMPOUND
LSM-3867
LINCS
View more database links
Registry Number
Type
Source
317318-84-6
CAS Registry Number
KEGG COMPOUND
Last Modified
25 February 2016