Structure Database (LMSD)

Common Name
5Z-octadecenoic acid
Systematic Name
5Z-octadecenoic acid
Synonyms
  • C18:1n-13
LM ID
LMFA01030296
Status
Active
Exact Mass
Calculate m/z
282.25588
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
AQWHMKSIVLSRNY-YPKPFQOOSA-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/h13-14H,2-12,15-17H2,1H3,(H,19,20)/b14-13-
SMILES (Click to copy)
C(CCC/C=C\CCCCCCCCCCCC)(=O)O

References

Other Databases

LIPIDAT ID
5751
PubChem CID
PlantFA 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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Created at
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Updated at
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