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Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:91966 - LSM-1920
Main
ChEBI Ontology
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ChEBI Name
LSM-1920
ChEBI ID
CHEBI:91966
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Molfile
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Formula
C21H26N2O7S
Net Charge
0
Average Mass
450.507
Monoisotopic Mass
450.14607
InChI
InChI=1S/C21H26N2O7S/c1-
11(20(24)
22-
19-
15-
6-
12-
5-
13(8-
15)
9-
16(19)
7-
12)
30-
21(25)
14-
3-
4-
18(31(2,28)
29)
17(10-
14)
23(26)
27/h3-
4,10-
13,15-
16,19H,5-
9H2,1-
2H3,(H,22,24)
InChIKey
NGWLUMJRYXLLMK-UHFFFAOYSA-N
SMILES
CC(C(=O)NC1C2CC3CC1CC(C2)C3)OC(=O)C4=CC(=C(C=C4)S(=O)(=O)C)[N+](=O)[O-]
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
LSM-1920 (
CHEBI:91966
)
is a
nitrobenzoic acid (
CHEBI:25553
)
Manual Xref
Database
LSM-1920
LINCS
View more database links