LIPID MAPS

Structure Database (LMSD)

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Common Name

WE 16:0/18:1(8Z)

Systematic Name

Hexadecanyl 8Z-octadecenoate

Synonyms

LM ID

LMFA07011342

Formula

C₃₄H₆₆O₂

Exact Mass

Calculate m/z

506.506281

Sum Composition

WE 34:1

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)

CQOFUZWCHUSIAF-VXPUYCOJSA-N

InChi (Click to copy)

InChI=1S/C34H66O2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34(35)36-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20H,3-18,21-33H2,1-2H3/b20-19-

SMILES (Click to copy)

O=C(CCCCCC/C=C\CCCCCCCCC)OCCCCCCCCCCCCCCCC

Calculated Physicochemical Properties

Heavy Atoms 36

Rings

Aromatic Rings

Rotatable Bonds 31

Van der Waals Molecular Volume 609.06

Topological Polar Surface Area 26.30

Hydrogen Bond Donors

Hydrogen Bond Acceptors 2

logP 12.33

Molar Refractivity 161.21

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Created at

13th Jan 2025

Updated at