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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:119256 - LSM-30705
Main
ChEBI Ontology
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ChEBI Name
LSM-30705
ChEBI ID
CHEBI:119256
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
C33H39N3O5S
Net Charge
0
Average Mass
589.747
Monoisotopic Mass
589.26104
InChI
InChI=1S/C33H39N3O5S/c1-
22-
12-
6-
11-
17-
30(22)
42(39,40)
34(4)
19-
29-
23(2)
18-
36(24(3)
20-
37)
33(38)
32-
31(26-
14-
8-
7-
13-
25(26)
21-
41-
29)
27-
15-
9-
10-
16-
28(27)
35(32)
5/h6-
17,23-
24,29,37H,18-
21H2,1-
5H3/t23-
,24+,29+/m0/s1
InChIKey
IXIIOBNDFUZJEW-CTVOUCONSA-N
SMILES
C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC=C4C)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-30705 (
CHEBI:119256
)
is a
indolyl carboxylic acid (
CHEBI:46867
)
Manual Xref
Database
LSM-30705
LINCS
View more database links