Structure Database (LMSD)

Common Name
8-hydroxy-5,6-Octadienoic acid
Systematic Name
8-hydroxy-5,6-Octadienoic acid
Synonyms
  • 5,6-Octadienoic acid, 8-hydroxy-
  • 8-Hydroxy-Z,Z-5,6-octadienoic acid
  • 8-Hydroxyocta-5c,6c-dienoic acid
LM ID
LMFA01031076
Formula
C8H12O3
Exact Mass
Calculate m/z
156.078645
Sum Composition
FA 8:2;O
Status
Active
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]

String Representations

InChiKey (Click to copy)
LNDWPMYWLUFZEI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H12O3/c9-7-5-3-1-2-4-6-8(10)11/h1,5,9H,2,4,6-7H2,(H,10,11)
SMILES (Click to copy)
C(CCCC=C=CCO)(=O)O

Other Databases

HMDB ID
HMDB0031101
CHEBI ID
169068
PubChem CID
54042244
PlantFA ID
10451

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 165.41
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 1.23
Molar Refractivity 41.72

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Updated at
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