LIPID MAPS

Structure Database (LMSD)

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Common Name

WE 20:1(10Z)/20:1(10Z)

Systematic Name

10Z-Eicosenyl 10Z-eicosenoate

Synonyms

LM ID

LMFA07011259

Formula

C₄₀H₇₆O₂

Exact Mass

Calculate m/z

588.584531

Sum Composition

WE 40:2

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

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)

IDDXGJFJLQRQBL-WRBBJXAJSA-N

InChi (Click to copy)

InChI=1S/C40H76O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19-22H,3-18,23-39H2,1-2H3/b21-19-,22-20-

SMILES (Click to copy)

O=C(CCCCCCCC/C=C\CCCCCCCCC)OCCCCCCCCC/C=C\CCCCCCCCC

Calculated Physicochemical Properties

Heavy Atoms 42

Rings

Aromatic Rings

Rotatable Bonds 36

Van der Waals Molecular Volume 710.22

Topological Polar Surface Area 26.30

Hydrogen Bond Donors

Hydrogen Bond Acceptors 2

logP 14.45

Molar Refractivity 188.82

Admin

Created at

10th Jan 2025

Updated at