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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:99160 - LSM-10539
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ChEBI Ontology
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ChEBI Name
LSM-10539
ChEBI ID
CHEBI:99160
Stars
This entity has been manually annotated by a third party.
Supplier Information
ZINC000004097885
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Formula
C25H36N4O4
Net Charge
0
Average Mass
456.579
Monoisotopic Mass
456.27366
InChI
InChI=1S/C25H36N4O4/c30-
16-
19-
20-
15-
29-
21(8-
7-
18(25(29)
32)
17-
5-
2-
1-
3-
6-
17)
23(27-
20)
22(19)
24(31)
26-
9-
4-
10-
28-
11-
13-
33-
14-
12-
28/h5,7-
8,19-
20,22-
23,27,30H,1-
4,6,9-
16H2,(H,26,31)
/t19-
,20-
,22+,23+/m1/s1
InChIKey
QXIHUUSMHZUCPE-SCPDWHHUSA-N
SMILES
C1CCC(=CC1)C2=CC=C3[C@H]4[C@H]([C@@H]([C@H](N4)CN3C2=O)CO)C(=O)NCCCN5CCOCC5
ChEBI Ontology
Outgoing
LSM-10539 (
CHEBI:99160
)
has functional parent
β-amino acid (
CHEBI:33706
)
LSM-10539 (
CHEBI:99160
)
is a
organonitrogen compound (
CHEBI:35352
)
LSM-10539 (
CHEBI:99160
)
is a
organooxygen compound (
CHEBI:36963
)
Manual Xref
Database
LSM-10539
LINCS
View more database links