Structure Database (LMSD)

Common Name
Bishomo-alpha-linolenic acid
Systematic Name
11Z,14Z,17Z-eicosatrienoic acid
Synonyms
  • C20:3n-3,6,9
  • ETrE(11Z, 14Z, 17Z)
  • Dihomolinolenic acid
LM ID
LMFA01030378
Status
Active
Exact Mass
Calculate m/z
306.25588
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)
AHANXAKGNAKFSK-PDBXOOCHSA-N
InChi (Click to copy)
InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-
SMILES (Click to copy)
C(CCCCCCCCC/C=C\C/C=C\C/C=C\CC)(=O)O

References

Other Databases

LIPIDAT ID
1772
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
PlantFA ID
SwissLipids ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 361.58
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.44
Molar Refractivity 96.13

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Created at
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Updated at
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