LIPID MAPS

Structure Database (LMSD)

Download as... MDLMOL SDF CSV TSV PNG SVG

Common Name

N-palmitoyl,N-palmitoleoylethanolamine

Systematic Name

N-hexadecanoyl-N-(2-hydroxyethyl)9Z-hexadecenamide

Synonyms

LM ID

LMFA08020430

Formula

C₃₄H₆₅NO₃

Exact Mass

Calculate m/z

535.496445

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Comments

Submitted by E. Camera

String Representations

InChiKey (Click to copy)

UUHAGUMZZVPOBG-SQFISAMPSA-N

InChi (Click to copy)

InChI=1S/C34H65NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)35(31-32-36)34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,36H,3-12,14,16-32H2,1-2H3/b15-13-

SMILES (Click to copy)

C(CCCCCCCCCCCCCCC)(=O)N(C(CCCCCCC/C=C\CCCCCC)=O)CCO

Other Databases

PubChem CID

178328674

Calculated Physicochemical Properties

Heavy Atoms 38

Rings

Aromatic Rings

Rotatable Bonds 29

Van der Waals Molecular Volume 626.21

Topological Polar Surface Area 57.61

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 4

logP 10.64

Molar Refractivity 165.32

Admin

Created at

11th Mar 2024

Updated at

6th Nov 2024