Structure Database (LMSD)

Common Name
WE 12:1(4Z)/18:0
Systematic Name
4Z-Dodecenyl octadecanoate
Synonyms
LM ID
LMFA07011294
Formula
C30H58O2
Exact Mass
Calculate m/z
450.443681
Sum Composition
WE 30:1
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.
Click on an edge to display the reaction(s).
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)
XIQMQNPIECCOQS-LNVKXUELSA-N
InChi (Click to copy)
InChI=1S/C30H58O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30(31)32-29-27-25-23-21-14-12-10-8-6-4-2/h21,23H,3-20,22,24-29H2,1-2H3/b23-21-
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCCCCC)OCCC/C=C\CCCCCCC

Other Databases

PubChem CID
178328249

Calculated Physicochemical Properties

Heavy Atoms 32
Rings
Aromatic Rings
Rotatable Bonds 27
Van der Waals Molecular Volume 539.86
Topological Polar Surface Area 26.30
Hydrogen Bond Donors
Hydrogen Bond Acceptors 2
logP 10.77
Molar Refractivity 142.74

Admin

Created at
10th Jan 2025
Updated at
13th Nov 2025