Structure Database (LMSD)

OH O OH
Common Name
17-hydroxy-linolenic acid
Systematic Name
17-hydroxy-6Z,9Z,12Z-octadecatrienoic acid
Synonyms
LM ID
LMFA02000239
Formula
C18H30O3
Exact Mass
Calculate m/z
294.219495
Sum Composition
FA 18:3;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Octadecanoids [FA02]
Other Octadecanoids [FA0200]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
NUDXOGPEQRPSKT-MVOZTAHOSA-N
InChi (Click to copy)
InChI=1S/C18H30O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h2-3,6-9,17,19H,4-5,10-16H2,1H3,(H,20,21)/b3-2-,8-6-,9-7-
SMILES (Click to copy)
C(=C/C/C=C\C/C=C\CCCC(O)C)/CCCCC(=O)O

References

Other Databases

HMDB ID
HMDB11108
CHEBI ID
173125
PubChem CID
44256502

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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