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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:119671 - LSM-31117
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ChEBI Ontology
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ChEBI Name
LSM-31117
ChEBI ID
CHEBI:119671
Stars
This entity has been manually annotated by a third party.
Supplier Information
ZINC000004097885
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Formula
C26H40N4O4
Net Charge
0
Average Mass
472.621
Monoisotopic Mass
472.30496
InChI
InChI=1S/C26H40N4O4/c1-
5-
9-
21-
14-
22-
25(27-
15-
21)
34-
23(19(2)
16-
30(26(22)
33)
20(3)
18-
31)
17-
28(4)
24(32)
10-
13-
29-
11-
7-
6-
8-
12-
29/h5,9,14-
15,19-
20,23,31H,6-
8,10-
13,16-
18H2,1-
4H3/t19-
,20-
,23+/m0/s1
InChIKey
AUGWLIQQHVFMMW-SXWKCWPCSA-N
SMILES
CC=CC1=CN=C2C(=C1)C(=O)N(C[C@@H]([C@H](O2)CN(C)C(=O)CCN3CCCCC3)C)[C@@H](C)CO
ChEBI Ontology
Outgoing
LSM-31117 (
CHEBI:119671
)
has functional parent
β-amino acid (
CHEBI:33706
)
LSM-31117 (
CHEBI:119671
)
is a
organonitrogen compound (
CHEBI:35352
)
LSM-31117 (
CHEBI:119671
)
is a
organooxygen compound (
CHEBI:36963
)
Manual Xref
Database
LSM-31117
LINCS
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