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LM ID | LMFA01031078 |
Common Name | 5Z,9Z,12Z-Eicosatrienoic acid |
Systematic Name | 5Z,9Z,12Z-Eicosatrienoic acid |
Synonyms | 5,9,12-Eicosatrienoic acid, (5Z,9Z,12Z)-; Z,Z,Z-5,9,12-Eicosatrienoic acid; 5, 9,12-Icosatrienoic acid; 5c,9c,12c-Eicosatrienoic acid |
Exact Mass | |
Formula | C20H34O2 |
Category | Fatty Acyls [FA] |
Main Class | Fatty Acids and Conjugates [FA01] |
Sub Class | Unsaturated fatty acids [FA0103] |
PubChem CID | 131839764 |
PlantFA ID | 10351 |
InChIKey | LRYXBPZAMYRWHM-UCVSHGSNSA-N
Show lipids differing only in stereochemistry/bond geometry |
InChI | 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/h8-9 ,11-12,15-16H,2-7,10,13-14,17-19H2,1H3,(H,21,22)/b9-8-,12-11-,16-15- |
SMILES | C(CCC/C=C\CC/C=C\C/C=C\CCCCCCC)(=O)O |
Status | Active |
Calculated physicochemical properties (?): |
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| Heavy Atoms | 22 | Rings | 0 | Aromatic Rings | 0 | Rotatable Bonds | 15 |
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| van der Waals Molecular Volume | 361.58 | Topological Polar Surface Area | 37.30 | Hydrogen Bond Donors | 1 | Hydrogen Bond Acceptors | 2 |
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| logP | 6.44 | Molar Refractivity | 96.13 | | | | |
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