Structure Database (LMSD)

Common Name
12-hydroxy-10-octadecynoic acid
Systematic Name
12-hydroxy-10-octadecynoic acid
Synonyms
  • 10-Octadecynoic acid, 12-hydroxy-
LM ID
LMFA02000219
Formula
C18H32O3
Exact Mass
Calculate m/z
296.235145
Sum Composition
FA 18:2;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Octadecanoids [FA02]
Other Octadecanoids [FA0200]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
JPDJPWVEHMJDNA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H32O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h17,19H,2-11,13-14,16H2,1H3,(H,20,21)
SMILES (Click to copy)
C(CCCCCCCCC#CC(O)CCCCCC)(=O)O

Other Databases

LIPIDAT ID
4871
CHEBI ID
165795
PubChem CID
5312859

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 338.41
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 4.81
Molar Refractivity 87.63

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Created at
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Updated at
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