Structure Database (LMSD)

Common Name
7-hydroxy-10E-Heptadecen-8-ynoic acid
Systematic Name
7-hydroxy-10E-Heptadecen-8-ynoic acid
Synonyms
  • 10-Heptadecen-8-ynoic acid, 7-hydroxy-, (E)-
LM ID
LMFA01031066
Formula
C17H28O3
Exact Mass
Calculate m/z
280.203845
Sum Composition
FA 17:3;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)
IHRRJGGTQOBZEY-BQYQJAHWSA-N
InChi (Click to copy)
InChI=1S/C17H28O3/c1-2-3-4-5-6-7-8-10-13-16(18)14-11-9-12-15-17(19)20/h7-8,16,18H,2-6,9,11-12,14-15H2,1H3,(H,19,20)/b8-7+
SMILES (Click to copy)
C(O)(=O)CCCCCC(O)C#C/C=C/CCCCCC

Other Databases

PubChem CID
21159003
PlantFA ID
10461

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 318.47
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 4.2
Molar Refractivity 82.91

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Updated at
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