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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:102145 - LSM-13504
Main
ChEBI Ontology
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ChEBI Name
LSM-13504
ChEBI ID
CHEBI:102145
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
C30H35N3O5S2
Net Charge
0
Average Mass
581.749
Monoisotopic Mass
581.20181
InChI
InChI=1S/C30H35N3O5S2/c1-
20-
15-
33(21(2)
17-
34)
30(35)
29-
28(25-
11-
7-
8-
12-
26(25)
32(29)
4)
24-
10-
6-
5-
9-
22(24)
18-
38-
27(20)
16-
31(3)
40(36,37)
23-
13-
14-
39-
19-
23/h5-
14,19-
21,27,34H,15-
18H2,1-
4H3/t20-
,21+,27-
/m0/s1
InChIKey
XFTZCOPLMXQWPM-ISCCLHIJSA-N
SMILES
C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CSC=C4)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-13504 (
CHEBI:102145
)
is a
indolyl carboxylic acid (
CHEBI:46867
)
Manual Xref
Database
LSM-13504
LINCS
View more database links