Structure Database (LMSD)

Common Name
(+/-)N-(2-fluoro-ethyl)-2-methyl-5Z,8Z,11Z,14Z-tricosatetraenoyl amine
Systematic Name
(+/-)N-(2-fluoro-ethyl)-2-methyl-5Z,8Z,11Z,14Z-tricosatetraenoyl amine
Synonyms
  • (+/-)-2-methyl-5,8,11,14-all-cis-tricosatetraenoyl-2'-fluoroethylamine
LM ID
LMFA08020071
Status
Active
Exact Mass
Calculate m/z
405.340692
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
GHGKPXOUKZEHPZ-AILJCPQKSA-N
InChi (Click to copy)
InChI=1S/C26H44FNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(2)26(29)28-24-23-27/h10-11,13-14,16-17,19-20,25H,3-9,12,15,18,21-24H2,1-2H3,(H,28,29)/b11-10-,14-13-,17-16-,20-19-
SMILES (Click to copy)
C(/C/C=C\C/C=C\CCCCCCCC)=C/C/C=C\CCC(C)C(=O)NCCF

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Potent anandamide analogs: the effect of changing the length and branching of the end pentyl chain.,
J Med Chem, 1997
Pubmed ID: 9357528

Other Databases

LIPIDBANK ID
XPR7085
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 471.02
Topological Polar Surface Area 29.10
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 8.20
Molar Refractivity 126.77

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Created at
-
Updated at
9th Apr 2021