Structure Database (LMSD)

Common Name
WE 24:0/17:1(8Z)
Systematic Name
Tetracosanyl 8Z-heptadecenoate
Synonyms
LM ID
LMFA07011241
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]

Reactions

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ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

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)
CGDJUZWYLVLSDR-IMRQLAEWSA-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/h18,27H,3-17,19-26,28-40H2,1-2H3/b27-18-
SMILES (Click to copy)
O=C(CCCCCC/C=C\CCCCCCCC)OCCCCCCCCCCCCCCCCCCCCCCCC

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
13th Nov 2025