Structure Database (LMSD)

Common Name
(-)N-(2R-hydroxy-propyl) alpha,alpha-dimethylarachidonoyl amine
Systematic Name
N-(2R-hydroxy-propyl)-2,2-dimethyl-5Z,8Z,11Z,14Z-eicosatetraenoyl amine
Synonyms
  • (-)N-(2R-hydroxy-propyl)alpha,alpha-dimethylarachidonoylamide
LM ID
LMFA08020047
Status
Active
Exact Mass
Calculate m/z
389.329379
Formula
Abbrev


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)
ISQLXYIUDZLLLP-PZSIIWHGSA-N
InChi (Click to copy)
InChI=1S/C25H43NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(3,4)24(28)26-22-23(2)27/h9-10,12-13,15-16,18-19,23,27H,5-8,11,14,17,20-22H2,1-4H3,(H,26,28)/b10-9-,13-12-,16-15-,19-18-/t23-/m1/s1
SMILES (Click to copy)
C(/C/C=C\C/C=C\CCCCC)=C/C/C=C\CCC(C)(C)C(=O)NC[C@@H](C)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Structural requirements for binding of anandamide-type compounds to the brain cannabinoid receptor.,
J Med Chem, 1997
Pubmed ID: 9057852

Other Databases

LIPIDBANK ID
XPR7061
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 456.44
Topological Polar Surface Area 49.33
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 6.84
Molar Refractivity 123.26

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Updated at
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