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Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:34732 - E-4031
Main
ChEBI Ontology
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ChEBI Name
E-4031
ChEBI ID
CHEBI:34732
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formulae
C21H27N3O3S
C21H27N3O3S
Net Charge
0
Average Mass
401.524
Monoisotopic Mass
401.17731
InChI
InChI=1S/C21H27N3O3S/c1-
16-
4-
3-
5-
19(22-
16)
12-
15-
24-
13-
10-
18(11-
14-
24)
21(25)
17-
6-
8-
20(9-
7-
17)
23-
28(2,26)
27/h3-
9,18,23H,10-
15H2,1-
2H3
InChIKey
SRUISGSHWFJION-UHFFFAOYSA-N
SMILES
Cc1cccc(CCN2CCC(CC2)C(=O)c2ccc(NS(C)(=O)=O)cc2)n1
ChEBI Ontology
Outgoing
E-4031 (
CHEBI:34732
)
is a
sulfonamide (
CHEBI:35358
)
Synonym
Source
E-4031
KEGG COMPOUND
Manual Xrefs
Databases
C13776
KEGG COMPOUND
LSM-2928
LINCS
View more database links
Registry Number
Type
Source
113558-89-7
CAS Registry Number
KEGG COMPOUND
Last Modified
25 February 2016