Structure Database (LMSD)

Common Name
7-hydroxy-10-heptadecen-8-ynoic acid
Systematic Name
7-hydroxy-10-heptadecen-8-ynoic acid
Synonyms
  • Acetylenic acids
  • 10-Heptadecen-8-ynoic acid, 7-hydroxy-
LM ID
LMFA01050260
Formula
C17H30O3
Exact Mass
Calculate m/z
282.219495
Sum Composition
FA 17:2;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]
Hydroxy fatty acids [FA0105]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
TWMRPCHSQJOLLE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H30O3/c1-2-3-4-5-6-7-8-10-13-16(18)14-11-9-12-15-17(19)20/h16,18H,2-9,11-12,14-15H2,1H3,(H,19,20)
SMILES (Click to copy)
C(CCCCCC(O)C#CCCCCCCCC)(=O)O

Other Databases

LIPIDAT ID
4688
CHEBI ID
193383
PubChem CID
5312813

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 321.11
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 4.42
Molar Refractivity 83.01

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Created at
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Updated at
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