Structure Database (LMSD)

Common Name
2-HoTrE
Systematic Name
2-hydroxy-9Z,12Z,15Z-octadecatrienoic acid
Synonyms
  • alpha-Hydroxy-alpha-linolenic acid
  • alpha-Hydroxylinolenic acid
LM ID
LMFA02000183
Status
Active
Exact Mass
Calculate m/z
294.219495
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)
JQXGCBKGIBTCHY-PDBXOOCHSA-N
InChi (Click to copy)
InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h3-4,6-7,9-10,17,19H,2,5,8,11-16H2,1H3,(H,20,21)/b4-3-,7-6-,10-9-
SMILES (Click to copy)
C(C(O)CCCCCC/C=C\C/C=C\C/C=C\CC)(=O)O

References

Other Databases

LIPIDAT ID
4835
PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 335.77
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 4.92
Molar Refractivity 88.80

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Created at
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Updated at
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