Structure Database (LMSD)

Common Name
Arachidyl oleate
Systematic Name
eicosanyl 9Z-octadecenoate
Synonyms
  • WE(20:0/18:1(9Z))
  • eicosyl 9Z-octadecenoate
LM ID
LMFA07010165
Status
Active
Exact Mass
Calculate m/z
562.56888
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
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Main

Classification

String Representations

InChiKey (Click to copy)
HKJBUPVMFYBSHI-PYCFMQQDSA-N
InChi (Click to copy)
InChI=1S/C38H74O2/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-40-38(39)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h18,22H,3-17,19-21,23-37H2,1-2H3/b22-18-
SMILES (Click to copy)
O=C(CCCCCCC/C=C\CCCCCCCC)OCCCCCCCCCCCCCCCCCCCC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
unidentified (#32644)
Structural characterization of wax esters by electron ionization mass spectrometry.,
J Lipid Res, 2012
Pubmed ID: 22058425

Other Databases

CHEBI ID
PubChem CID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 0
Aromatic Rings 0
Rotatable Bonds 35
Van der Waals Molecular Volume 678.26
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 13.89
Molar Refractivity 179.68

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Created at
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Updated at
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