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iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:97133 - LSM-8512
Main
ChEBI Ontology
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ChEBI Name
LSM-8512
ChEBI ID
CHEBI:97133
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Molfile
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Formula
C32H42N4O4
Net Charge
0
Average Mass
546.701
Monoisotopic Mass
546.32061
InChI
InChI=1S/C32H42N4O4/c1-
21-
17-
36(22(2)
19-
37)
32(39)
30-
29(25-
13-
8-
9-
14-
26(25)
35(30)
5)
24-
12-
7-
6-
11-
23(24)
20-
40-
28(21)
18-
34(4)
31(38)
27-
15-
10-
16-
33(27)
3/h6-
9,11-
14,21-
22,27-
28,37H,10,15-
20H2,1-
5H3/t21-
,22+,27+,28+/m1/s1
InChIKey
QNPXTRYBNJAKIP-HDYVOGQZSA-N
SMILES
C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@@H]4CCCN4C)C5=CC=CC=C5N2C)[C@@H](C)CO
ChEBI Ontology
Outgoing
LSM-8512 (
CHEBI:97133
)
is a
proline derivative (
CHEBI:26273
)
Manual Xref
Database
LSM-8512
LINCS
View more database links