Structure Database (LMSD)

Common Name
7-Hydroxy-10E-Hexadecen-8-ynoic acid
Systematic Name
7-Hydroxy-10E-Hexadecen-8-ynoic acid
Synonyms
  • 7-Hydroxy-E-10-Hexadecen-8-ynoic acid
  • 7-Hydroxy-E-10-Hexadecen-8-insaeur
LM ID
LMFA01031023
Formula
C16H26O3
Exact Mass
Calculate m/z
266.188195
Sum Composition
FA 16:3;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]

String Representations

InChiKey (Click to copy)
AGJDSYBSWRQZQH-VOTSOKGWSA-N
InChi (Click to copy)
InChI=1S/C16H26O3/c1-2-3-4-5-6-7-9-12-15(17)13-10-8-11-14-16(18)19/h6-7,15,17H,2-5,8,10-11,13-14H2,1H3,(H,18,19)/b7-6+
SMILES (Click to copy)
C(CCCCCC(O)C#C/C=C/CCCCC)(=O)O

Other Databases

CHEBI ID
186836
PubChem CID
131839740
PlantFA ID
10272

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 301.17
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 3.81
Molar Refractivity 78.3

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Created at
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Updated at
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