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
619.590344
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

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

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