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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:97397 - LSM-8776
Main
ChEBI Ontology
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ChEBI Name
LSM-8776
ChEBI ID
CHEBI:97397
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C31H37N3O4S
Net Charge
0
Average Mass
547.710
Monoisotopic Mass
547.25048
InChI
InChI=1S/C31H37N3O4S/c1-
6-
8-
21-
9-
7-
10-
23(17-
21)
29-
28-
24(20-
34(27(28)
15-
16-
35)
39(37)
31(2,3)
4)
18-
26(33-
29)
30(36)
32-
19-
22-
11-
13-
25(38-
5)
14-
12-
22/h6-
14,17-
18,27,35H,15-
16,19-
20H2,1-
5H3,(H,32,36)
/t27-
,39-
/m0/s1
InChIKey
CHUUKIFYUQSEQP-XGFTYPEHSA-N
SMILES
CC=CC1=CC=CC(=C1)C2=C3[C@@H](N(CC3=CC(=N2)C(=O)NCC4=CC=C(C=C4)OC)[S@@](=O)C(C)(C)C)CCO
ChEBI Ontology
Outgoing
LSM-8776 (
CHEBI:97397
)
is a
phenylpyridine (
CHEBI:38193
)
Manual Xref
Database
LSM-8776
LINCS
View more database links