Structure Database (LMSD)

Common Name
tetracosanyl oleate
Systematic Name
tetracosanyl 9Z-octadecenoate
Synonyms
  • WE(24:0/18:1(9Z))
LM ID
LMFA07011102
Status
Active
Exact Mass
Calculate m/z
618.63148
Formula
C42H82O2
Abbrev
WE 42:1
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Tear film lipids.,
Exp Eye Res, 2013
Pubmed ID: 23769846

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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Updated at
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