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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:119183 - LSM-30632
Main
ChEBI Ontology
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ChEBI Name
LSM-30632
ChEBI ID
CHEBI:119183
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Molfile
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Formula
C32H44N4O4
Net Charge
0
Average Mass
548.717
Monoisotopic Mass
548.33626
InChI
InChI=1S/C32H44N4O4/c1-
20(2)
23(5)
33-
32(39)
34(6)
17-
28-
21(3)
16-
36(22(4)
18-
37)
31(38)
30-
29(25-
13-
9-
8-
12-
24(25)
19-
40-
28)
26-
14-
10-
11-
15-
27(26)
35(30)
7/h8-
15,20-
23,28,37H,16-
19H2,1-
7H3,(H,33,39)
/t21-
,22-
,23-
,28-
/m0/s1
InChIKey
BIOSPGAGQAHCPR-AMZZYFJHSA-N
SMILES
C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)N[C@@H](C)C(C)C)C4=CC=CC=C4N2C)[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-30632 (
CHEBI:119183
)
is a
indolyl carboxylic acid (
CHEBI:46867
)
Manual Xref
Database
LSM-30632
LINCS
View more database links