Structure Database (LMSD)

Common Name
3E,9Z,12Z,15Z-octadecatetraenoic acid
Systematic Name
3E,9Z,12Z,15Z-octadecatetraenoic acid
Synonyms
  • trans-3, cis-9, cis-12, cis-15-octadecatetraenoic acid
  • C18:4n-3,6,9,15
LM ID
LMFA01030167
Status
Active
Exact Mass
Calculate m/z
276.20893
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)
JNIPNHCEUZIVID-BPJKAVOUSA-N
InChi (Click to copy)
InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,15-16H,2,5,8,11-14,17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,16-15+
SMILES (Click to copy)
C(CCC/C=C/CC(=O)O)/C=C\C/C=C\C/C=C\CC

References

Other Databases

LIPIDBANK ID
PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 324.34
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.44
Molar Refractivity 86.81

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Created at
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Updated at
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