LIPID MAPS

Structure Database (LMSD)

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Common Name

N-palmitoyl,N-margaroylethanolamine

Systematic Name

N-hexadecanoyl-N-(2-hydroxyethyl)heptadecanamide

Synonyms

LM ID

LMFA08020424

Formula

C₃₅H₆₉NO₃

Exact Mass

Calculate m/z

551.527745

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Comments

Submitted by E. Camera

String Representations

InChiKey (Click to copy)

ZXYKZGPZZUOTMR-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C35H69NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(39)36(32-33-37)34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-33H2,1-2H3

SMILES (Click to copy)

C(CCCCCCCCCCCCCCC)(=O)N(C(=O)CCCCCCCCCCCCCCCC)CCO

Other Databases

PubChem CID

178328669

Calculated Physicochemical Properties

Heavy Atoms 39

Rings

Aromatic Rings

Rotatable Bonds 31

Van der Waals Molecular Volume 646.15

Topological Polar Surface Area 57.61

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 4

logP 11.26

Molar Refractivity 170.03

Admin

Created at

11th Mar 2024

Updated at

6th Nov 2024