Structure Database (LMSD)

Common Name
WE 23:0/18:1(9Z)
Systematic Name
Tricosanyl 9Z-octadecenoate
Synonyms
LM ID
LMFA07011240
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

Filter by species:
ⓘ 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)
UABBBMVDSNCCOX-BWAHOGKJSA-N
InChi (Click to copy)
InChI=1S/C41H80O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-43-41(42)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h18,25H,3-17,19-24,26-40H2,1-2H3/b25-18-
SMILES (Click to copy)
O=C(CCCCCCC/C=C\CCCCCCCC)OCCCCCCCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
166098072

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