LIPID MAPS

Structure Database (LMSD)

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Common Name

N-stearoyl,N-arachidoylethanolamine

Systematic Name

N-octadecanoyl-N-(2-hydroxyethyl)eicosanamide

Synonyms

LM ID

LMFA08020429

Formula

C₄₀H₇₉NO₃

Exact Mass

Calculate m/z

621.605995

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Comments

Submitted by E. Camera

String Representations

InChiKey (Click to copy)

TUBHHKWFSZWPAU-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C40H79NO3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-40(44)41(37-38-42)39(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h42H,3-38H2,1-2H3

SMILES (Click to copy)

C(CCCCCCCCCCCCCCCCC)(=O)N(C(=O)CCCCCCCCCCCCCCCCCCC)CCO

Other Databases

PubChem CID

178328673

Calculated Physicochemical Properties

Heavy Atoms 44

Rings

Aromatic Rings

Rotatable Bonds 36

Van der Waals Molecular Volume 732.65

Topological Polar Surface Area 57.61

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 4

logP 13.21

Molar Refractivity 193.11

Admin

Created at

11th Mar 2024

Updated at

6th Nov 2024