Structure Database (LMSD)

OH O OH
Common Name
7-hydroxy-10E,16-heptadecadien-8-ynoic acid
Systematic Name
7-hydroxy-10E,16-heptadecadien-8-ynoic acid
Synonyms
  • Acetylenic acids
  • 10,16-Heptadecadien-8-ynoic acid, 7-hydroxy, (E)-
LM ID
LMFA01050258
Formula
C17H26O3
Exact Mass
Calculate m/z
278.188195
Sum Composition
FA 17:4;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
SKEXYIDHVDOQQP-VOTSOKGWSA-N
InChi (Click to copy)
InChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-10-13-16(18)14-11-9-12-15-17(19)20/h2,6-7,16,18H,1,3-5,8-9,11-12,14-15H2,(H,19,20)/b7-6+
SMILES (Click to copy)
C(CCCCCC(O)C#CC/C=C/CCCC=C)(=O)O

References

Other Databases

CHEBI ID
186934
PubChem CID
5312811
PlantFA ID
10462

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 315.83
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 3.97
Molar Refractivity 82.82

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Created at
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Updated at
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