Structure Database (LMSD)

Common Name
(+/-)N-(2-fluoro-ethyl)-2,16,16-trimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
Systematic Name
(+/-)N-(2-fluoro-ethyl)-2,16,16-trimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
Synonyms
  • (+/-)-2,16,16-trimethyl-5,8,11,14-all-cis-docosatetraenoyl-2'-fluoroethyamine
LM ID
LMFA08020066
Status
Active
Exact Mass
Calculate m/z
419.356342
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)
GNIZQTFYBNNAMS-RIMQKTDKSA-N
InChi (Click to copy)
InChI=1S/C27H46FNO/c1-5-6-7-18-21-27(3,4)22-19-16-14-12-10-8-9-11-13-15-17-20-25(2)26(30)29-24-23-28/h8-9,12-15,19,22,25H,5-7,10-11,16-18,20-21,23-24H2,1-4H3,(H,29,30)/b9-8-,14-12-,15-13-,22-19-
SMILES (Click to copy)
C(/C/C=C\C/C=C\C(C)(C)CCCCCC)=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
XPR7080
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 488.32
Topological Polar Surface Area 29.10
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 8.45
Molar Refractivity 131.31

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Created at
-
Updated at
9th Apr 2021