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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:95141 - LSM-6410
Main
ChEBI Ontology
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ChEBI Name
LSM-6410
ChEBI ID
CHEBI:95141
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Molfile
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Formula
C17H20N2O5S
Net Charge
0
Average Mass
364.418
Monoisotopic Mass
364.10929
InChI
InChI=1S/C17H20N2O5S/c1-
9(24-
10-
7-
5-
4-
6-
8-
10)
13(20)
18-
11-
14(21)
19-
12(16(22)
23)
17(2,3)
25-
15(11)
19/h4-
9,11-
12,15H,1-
3H3,(H,18,20)
(H,22,23)
/t9?,11-
,12+,15+/m1/s1
InChIKey
NONJJLVGHLVQQM-SKEOLLKRSA-N
SMILES
CC(C(=O)N[C@H]1[C@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O)OC3=CC=CC=C3
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):
allergen
A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
(via
penicillin
)
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via
heterocyclic antibiotic
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
LSM-6410 (
CHEBI:95141
)
is a
penicillin (
CHEBI:17334
)
Manual Xref
Database
LSM-6410
LINCS
View more database links