Structure Database (LMSD)

Common Name
8-hydroxy-13E,17-Octadecadiene-9,11-diynoic acid
Systematic Name
8-hydroxy-13E,17-Octadecadiene-9,11-diynoic acid
Synonyms
  • 13,17-Octadecadiene-9,11-diynoic acid, 8-hydroxy-, (E)-
  • 8-Hydroxy-E-13,17-Octadecadien-9,11-diynoic acid
  • 8-Hydroxyoctadeca-13t,17-dien-9,11-diynoic acid
LM ID
LMFA01031064
Formula
C18H24O3
Exact Mass
Calculate m/z
288.172545
Sum Composition
FA 18:6;O
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)
HXOKXQYTUYIBDT-AATRIKPKSA-N
InChi (Click to copy)
InChI=1S/C18H24O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h2,5-6,17,19H,1,3-4,9-10,12-13,15-16H2,(H,20,21)/b6-5+
SMILES (Click to copy)
C(O)(=O)CCCCCCC(O)C#CC#C/C=C/CCC=C

Other Databases

PubChem CID
21159004
PlantFA ID
10471

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 327.85
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 3.59
Molar Refractivity 85.98

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Created at
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Updated at
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