Structure Database (LMSD)

Common Name
N-oleoyl,N-stearoylethanolamine
Systematic Name
N-9Z-octadecenoyl-N-(2-hydroxyethyl)-octadecanamide
Synonyms
LM ID
LMFA08020434
Formula
C38H73NO3
Exact Mass
Calculate m/z
591.559044
Status
Active
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

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Mus musculus (#10090)
Mammalia (#40674)
Loss of ERBB2 and ERBB3 Receptors Impacts Epidermal Differentiation in Mice,
J Invest Dermatol, 2024
Pubmed ID: 38987017

String Representations

InChiKey (Click to copy)
MVLXIACNZFHOJJ-ZPHPHTNESA-N
InChi (Click to copy)
InChI=1S/C38H73NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(41)39(35-36-40)38(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,40H,3-16,18,20-36H2,1-2H3/b19-17-
SMILES (Click to copy)
N(C(=O)CCCCCCC/C=C\CCCCCCCC)(C(CCCCCCCCCCCCCCCCC)=O)CCO

Calculated Physicochemical Properties

Heavy Atoms 42
Rings
Aromatic Rings
Rotatable Bonds 33
Van der Waals Molecular Volume 695.41
Topological Polar Surface Area 57.61
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 12.20
Molar Refractivity 183.78

Admin

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