Structure Database (LMSD)

Common Name
N-oleoyl,N-nonadecanoylethanolamine
Systematic Name
N-9Z-octadecenoyl-N-(2-hydroxyethyl)-nonadecanamide
Synonyms
LM ID
LMFA08020435
Formula
C39H75NO3
Exact Mass
Calculate m/z
605.574695
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)
YVEZPPBEJNYXCJ-ZZEZOPTASA-N
InChi (Click to copy)
InChI=1S/C39H75NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(43)40(36-37-41)38(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,41H,3-17,19,21-37H2,1-2H3/b20-18-
SMILES (Click to copy)
N(C(=O)CCCCCCC/C=C\CCCCCCCC)(C(CCCCCCCCCCCCCCCCCC)=O)CCO

Other Databases

PubChem CID
178328677

Calculated Physicochemical Properties

Heavy Atoms 43
Rings
Aromatic Rings
Rotatable Bonds 34
Van der Waals Molecular Volume 712.71
Topological Polar Surface Area 57.61
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 12.59
Molar Refractivity 188.40

Admin

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