Structure Database (LMSD)

Common Name
WE 19:0/14:1(6Z)
Systematic Name
Nonadecanyl 6Z-tetradecenoate
Synonyms
LM ID
LMFA07011329
Formula
C33H64O2
Exact Mass
Calculate m/z
492.490631
Sum Composition
WE 33:1
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)
DCHJOERSGHYAFW-LNVKXUELSA-N
InChi (Click to copy)
InChI=1S/C33H64O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-35-33(34)31-29-27-25-23-21-14-12-10-8-6-4-2/h21,23H,3-20,22,24-32H2,1-2H3/b23-21-
SMILES (Click to copy)
O=C(CCCC/C=C\CCCCCCC)OCCCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
178328284

Calculated Physicochemical Properties

Heavy Atoms 35
Rings
Aromatic Rings
Rotatable Bonds 30
Van der Waals Molecular Volume 591.76
Topological Polar Surface Area 26.30
Hydrogen Bond Donors
Hydrogen Bond Acceptors 2
logP 11.94
Molar Refractivity 156.60

Admin

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