Structure Database (LMSD)

Common Name
WE 24:1(14Z)/17:0
Systematic Name
14Z-Tetracosenyl heptadecanoate
Synonyms
LM ID
LMFA07011237
Formula
C41H80O2
Exact Mass
Calculate m/z
604.615831
Sum Composition
WE 41:1
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Shotgun Lipidomic Profiling of Sebum Lipids via Photocatalyzed Paternò-Büchi Reaction and Ion Mobility-Mass Spectrometry.,
Anal Chem, 2024
Pubmed ID: 38556723

String Representations

InChiKey (Click to copy)
SZXAQJUPKACZNG-VXPUYCOJSA-N
InChi (Click to copy)
InChI=1S/C41H80O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-43-41(42)39-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2/h19-20H,3-18,21-40H2,1-2H3/b20-19-
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCCCC)OCCCCCCCCCCCCC/C=C\CCCCCCCCC

Calculated Physicochemical Properties

Heavy Atoms 43
Rings
Aromatic Rings
Rotatable Bonds 38
Van der Waals Molecular Volume 730.16
Topological Polar Surface Area 26.30
Hydrogen Bond Donors
Hydrogen Bond Acceptors 2
logP 15.06
Molar Refractivity 193.53

Admin

Created at
10th Jan 2025
Updated at
10th Jan 2025