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:39485 - fkb-001
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
fkb-001
ChEBI ID
CHEBI:39485
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
expand
Formula
C35H42F2N2O6
Net Charge
0
Average Mass
624.71467
Monoisotopic Mass
624.30109
InChI
InChI=1S/C35H42F2N2O6/c1-
42-
30-
22-
27(23-
31(43-
2)
32(30)
44-
3)
35(36,37)
34(41)
39-
21-
8-
7-
19-
29(39)
33(40)
45-
28(17-
9-
14-
25-
12-
5-
4-
6-
13-
25)
18-
10-
15-
26-
16-
11-
20-
38-
24-
26/h4-
6,11-
13,16,20,22-
24,28-
29H,7-
10,14-
15,17-
19,21H2,1-
3H3/t28-
,29-
/m0/s1
InChIKey
NBYCDVVSYOMFMS-VMPREFPWSA-N
SMILES
COc1cc(cc(OC)c1OC)C(F)(F)C(=O)N1CCCC[C@H]1C(=O)O[C@@H](CCCc1ccccc1)CCCc1cccnc1
ChEBI Ontology
Outgoing
fkb-001 (
CHEBI:39485
)
has functional parent
L
-pipecolate ester (
CHEBI:46876
)
fkb-001 (
CHEBI:39485
)
is a
organofluorine compound (
CHEBI:37143
)
IUPAC Name
(4
S
)-
1-
phenyl-
7-
(pyridin-
3-
yl)heptan-
4-
yl (2
S
)-
1-
[difluoro(3,4,5-
trimethoxyphenyl)acetyl]piperidine-
2-
carboxylate
Synonyms
Sources
(
S
)-
4-
phenyl-
1-
[3-
(3-
pyridyl)propyl]butyl
N
-
[difluoro(3,4,5-
trimethoxy)acetyl]-
L
-
pipecolate
ChEBI
1-
[2,2-
DIFLUORO-
2-
(3,4,5-
TRIMETHOXY-
PHENYL)-
ACETYL]-
PIPERIDINE-
2-
CARBOXYLIC ACID 4-
PHENYL-
1-
(3-
PYRIDIN-
3-
YL-
PROPYL)-
BUTYL ESTER
PDBeChem
Manual Xrefs
Databases
001
PDBeChem
DB02888
DrugBank
View more database links
Last Modified
05 November 2015