Structure Database (LMSD)

Common Name
WE 13:0/18:1(6Z)
Systematic Name
Tridecanyl 6Z-octadecenoate
Synonyms
LM ID
LMFA07011316
Formula
C31H60O2
Exact Mass
Calculate m/z
464.459331
Sum Composition
WE 31:1
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)
YEUAIWYUOGZVEX-VZCXRCSSSA-N
InChi (Click to copy)
InChI=1S/C31H60O2/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31(32)33-30-28-26-24-22-20-14-12-10-8-6-4-2/h19,21H,3-18,20,22-30H2,1-2H3/b21-19-
SMILES (Click to copy)
O=C(CCCC/C=C\CCCCCCCCCCC)OCCCCCCCCCCCCC

Other Databases

PubChem CID
178328271

Calculated Physicochemical Properties

Heavy Atoms 33
Rings
Aromatic Rings
Rotatable Bonds 28
Van der Waals Molecular Volume 557.16
Topological Polar Surface Area 26.30
Hydrogen Bond Donors
Hydrogen Bond Acceptors 2
logP 11.16
Molar Refractivity 147.36

Admin

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