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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:103103 - LSM-14448
Main
ChEBI Ontology
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ChEBI Name
LSM-14448
ChEBI ID
CHEBI:103103
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Molfile
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Formula
C29H30N4O4
Net Charge
0
Average Mass
498.574
Monoisotopic Mass
498.22671
InChI
InChI=1S/C29H30N4O4/c1-
2-
14-
31-
27(35)
25-
22(18-
34)
24-
17-
32-
23(26(25)
33(24)
29(37)
21-
12-
15-
30-
16-
13-
21)
11-
10-
20(28(32)
36)
9-
8-
19-
6-
4-
3-
5-
7-
19/h3-
13,15-
16,22,24-
26,34H,2,14,17-
18H2,1H3,(H,31,35)
/t22-
,24-
,25+,26+/m0/s1
InChIKey
QXUUMNXHRNLNCE-ADXHGGABSA-N
SMILES
CCCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C=CC4=CC=CC=C4)[C@H]1N2C(=O)C5=CC=NC=C5)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-14448 (
CHEBI:103103
)
is a
aromatic carboxylic acid (
CHEBI:33859
)
LSM-14448 (
CHEBI:103103
)
is a
pyridinemonocarboxylic acid (
CHEBI:26420
)
Manual Xref
Database
LSM-14448
LINCS
View more database links