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LM ID | LMFA02000183 |
Common Name | 2-HoTrE |
Systematic Name | 2-hydroxy-9Z,12Z,15Z-octadecatrienoic acid |
Synonyms | α-Hydroxy-α-linolenic acid; α-Hydroxylinolenic acid |
Exact Mass | |
Formula | C18H30O3 |
Category | Fatty Acyls [FA] |
Main Class | Octadecanoids [FA02] |
Sub Class | Other Octadecanoids [FA0200] |
Alternative Classes | Unsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105] |
LIPIDAT ID | 4835 |
PubChem CID | 5312775 |
PlantFA ID | 10409 |
InChIKey | JQXGCBKGIBTCHY-PDBXOOCHSA-N
Show lipids differing only in stereochemistry/bond geometry |
InChI | 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 | C(C(O)CCCCCC/C=C\C/C=C\C/C=C\CC)(=O)O |
MS Spectra | View MoNA MS spectra |
Status | Active |
Calculated physicochemical properties (?): |
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| Heavy Atoms | 21 | Rings | 0 | Aromatic Rings | 0 | Rotatable Bonds | 13 |
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| van der Waals Molecular Volume | 335.77 | Topological Polar Surface Area | 57.53 | Hydrogen Bond Donors | 2 | Hydrogen Bond Acceptors | 3 |
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| logP | 4.92 | Molar Refractivity | 88.80 | | | | |
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