Structure Database (LMSD)

Common Name
WE 17:1(10Z)/18:1(6Z)
Systematic Name
10Z-heptadecenyl 6Z-octadecenoate
Synonyms
LM ID
LMFA07011427
Formula
C35H66O2
Exact Mass
Calculate m/z
518.506281
Sum Composition
WE 35:2
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)
HFDIBURSZUMCHL-WQXUAUFSSA-N
InChi (Click to copy)
InChI=1S/C35H66O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(36)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,23,25H,3-13,15,17-22,24,26-34H2,1-2H3/b16-14-,25-23-
SMILES (Click to copy)
O=C(CCCC/C=C\CCCCCCCCCCC)OCCCCCCCCC/C=C\CCCCCC

Calculated Physicochemical Properties

Heavy Atoms 37
Rings
Aromatic Rings
Rotatable Bonds 31
Van der Waals Molecular Volume 623.72
Topological Polar Surface Area 26.30
Hydrogen Bond Donors
Hydrogen Bond Acceptors 2
logP 12.50
Molar Refractivity 165.74

Admin

Created at
15th Jan 2025
Updated at
13th Nov 2025