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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:99841 - LSM-11220
Main
ChEBI Ontology
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ChEBI Name
LSM-11220
ChEBI ID
CHEBI:99841
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Molfile
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SDF
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Formula
C33H44N4O4
Net Charge
0
Average Mass
560.728
Monoisotopic Mass
560.33626
InChI
InChI=1S/C33H44N4O4/c1-
22-
18-
37(23(2)
20-
38)
32(39)
31-
30(27-
16-
10-
11-
17-
28(27)
36(31)
4)
26-
15-
9-
8-
12-
24(26)
21-
41-
29(22)
19-
35(3)
33(40)
34-
25-
13-
6-
5-
7-
14-
25/h8-
12,15-
17,22-
23,25,29,38H,5-
7,13-
14,18-
21H2,1-
4H3,(H,34,40)
/t22-
,23+,29+/m0/s1
InChIKey
INXMEFHWZGRULI-QFWOEDSFSA-N
SMILES
C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4CCCCC4)C5=CC=CC=C5N2C)[C@H](C)CO
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
LSM-11220 (
CHEBI:99841
)
is a
indolyl carboxylic acid (
CHEBI:46867
)
Manual Xref
Database
LSM-11220
LINCS
View more database links