Structure Database (LMSD)

Common Name
9-elaidic acid
Systematic Name
9E-octadecenoic acid
Synonyms
  • trans-9-octadecenoic acid
  • C18:1n-9
  • Elaidinic acid
  • trans-Elaidic acid
  • trans-Oleic acid
LM ID
LMFA01030073
Status
Active
Exact Mass
Calculate m/z
282.25588
Formula
Abbrev




Download as...
MDLMOL SDF CSV TSV
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Main

Classification

String Representations

InChiKey (Click to copy)
ZQPPMHVWECSIRJ-MDZDMXLPSA-N
InChi (Click to copy)
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+
SMILES (Click to copy)
C(/CCCCCCCC)=C\CCCCCCCC(=O)O

References

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
PubChem CID
PlantFA ID
SwissLipids ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 332.26
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.11
Molar Refractivity 87.09

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Updated at
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