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
591.559045
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

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

Other Databases

PubChem CID
175464462

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