Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:109264 - LSM-20661
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
LSM-20661
ChEBI ID
CHEBI:109264
Stars
This entity has been manually annotated by a third party.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C36H33F4N3O5
Net Charge
0
Average Mass
663.659
Monoisotopic Mass
663.23563
InChI
InChI=1S/C36H33F4N3O5/c1-
41(2)
33(45)
30-
18-
28-
29(42(30)
20-
23-
11-
15-
27(16-
12-
23)
48-
36(38,39)
40)
17-
25-
21-
43(32(44)
24-
7-
5-
4-
6-
8-
24)
35(31(25)
28,34(46)
47-
3)
19-
22-
9-
13-
26(37)
14-
10-
22/h4-
16,18,25,31H,17,19-
21H2,1-
3H3/t25-
,31+,35+/m0/s1
InChIKey
WQNVBEYGWAEVOI-ARROIKNCSA-N
SMILES
CN(C)
C(=O)
C1=CC2=C(N1CC3=CC=C(C=C3)
OC(F)
(F)
F)
C[C@@H]
4[C@H]
2[C@]
(N(C4)
C(=O)
C5=CC=CC=C5)
(CC6=CC=C(C=C6)
F)
C(=O)
OC
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-20661 (
CHEBI:109264
)
is a
N
-acyl-amino acid (
CHEBI:51569
)
Manual Xref
Database
LSM-20661
LINCS
View more database links