Structure Database (LMSD)

Common Name
Butolic acid
Systematic Name
6R-hydroxy-tetradecanoic acid
Synonyms
  • Tetradecanoic acid, 6-hydroxy-, (R)-
  • Tetradecanoic acid, 6-hydroxy-, (R)-(-)-
  • (-)-Butolic acid
  • Butolic acid, (-)-
LM ID
LMFA01050324
Formula
C14H28O3
Exact Mass
Calculate m/z
244.203845
Sum Composition
FA 14:0;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]

String Representations

InChiKey (Click to copy)
XQMCCPUZOKUEHG-CYBMUJFWSA-N
InChi (Click to copy)
InChI=1S/C14H28O3/c1-2-3-4-5-6-7-10-13(15)11-8-9-12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)/t13-/m1/s1
SMILES (Click to copy)
C(CCCC[C@H](O)CCCCCCCC)(=O)O

Other Databases

LIPIDAT ID
4967
CHEBI ID
180373
PubChem CID
5312870

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 274.49
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 4.03
Molar Refractivity 70.62

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Updated at
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