Structure Database (LMSD)

Common Name
Dipalmitoylethanolamine
Systematic Name
N-hexadecanoyl-N-(2-hydroxyethyl)hexadecanamide
Synonyms
LM ID
LMFA08020421
Formula
C34H67NO3
Exact Mass
Calculate m/z
537.512094
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)
BHGSEIKDKNHNHN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C34H67NO3/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/h36H,3-32H2,1-2H3
SMILES (Click to copy)
C(CCCCCCCCCCCCCCC)(=O)N(C(=O)CCCCCCCCCCCCCCC)CCO

Other Databases

PubChem CID
53682008

Calculated Physicochemical Properties

Heavy Atoms 38
Rings
Aromatic Rings
Rotatable Bonds 30
Van der Waals Molecular Volume 628.85
Topological Polar Surface Area 57.61
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 10.87
Molar Refractivity 165.41

Admin

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