Structure Database (LMSD)

Common Name
N-oleoyl,N-arachidoylethanolamine
Systematic Name
N-9Z-octadecenoyl-N-(2-hydroxyethyl)-eicosanamide
Synonyms
LM ID
LMFA08020436
Formula
C40H77NO3
Exact Mass
Calculate m/z
619.590345
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amines [FA0802]

References

Comments
Submitted by E. Camera

String Representations

InChiKey (Click to copy)
BTCAOMOHFPIPLI-UZYVYHOESA-N
InChi (Click to copy)
InChI=1S/C40H77NO3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-40(44)41(37-38-42)39(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h18,21,42H,3-17,19-20,22-38H2,1-2H3/b21-18-
SMILES (Click to copy)
N(C(=O)CCCCCCC/C=C\CCCCCCCC)(C(CCCCCCCCCCCCCCCCCCC)=O)CCO

Other Databases

PubChem CID
178328678

Calculated Physicochemical Properties

Heavy Atoms 44
Rings
Aromatic Rings
Rotatable Bonds 35
Van der Waals Molecular Volume 730.01
Topological Polar Surface Area 57.61
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 12.98
Molar Refractivity 193.02

Admin

Created at
11th Mar 2024
Updated at
6th Nov 2024