LIPID MAPS

Structure Database (LMSD)

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Common Name

tetracosanyl oleate

Systematic Name

tetracosanyl 9Z-octadecenoate

Synonyms

WE(24:0/18:1(9Z))

LM ID

LMFA07011102

Formula

C₄₂H₈₂O₂

Exact Mass

Calculate m/z

618.63148

Sum Composition

WE 42:1

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Homo sapiens (#9606)

Mammalia (#40674)

Tear film lipids.,
Exp Eye Res, 2013

Pubmed ID: 23769846

DOI: 10.1016/j.exer.2013.05.010

String Representations

InChiKey (Click to copy)

XHRAFGOIXPPUNV-ITYLOYPMSA-N

InChi (Click to copy)

InChI=1S/C42H82O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-41-44-42(43)40-38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2/h18,26H,3-17,19-25,27-41H2,1-2H3/b26-18-

SMILES (Click to copy)

O=C(CCCCCCC/C=C\CCCCCCCC)OCCCCCCCCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID

12989196

Calculated Physicochemical Properties

Heavy Atoms 44

Rings 0

Aromatic Rings 0

Rotatable Bonds 39

Van der Waals Molecular Volume 747.46

Topological Polar Surface Area 26.30

Hydrogen Bond Donors 0

Hydrogen Bond Acceptors 2

logP 15.45

Molar Refractivity 198.15

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