Structure Database (LMSD)

Common Name
9R-hydroxy-decanoic acid
Systematic Name
9R-hydroxy-decanoic acid
Synonyms
  • Decanoic acid, 9-hydroxy-, (R)-
  • (-)-(R)-9-Hydroxydecanoic acid
  • D-9-Hydroxydecanoic acid
LM ID
LMFA01050247
Formula
C10H20O3
Exact Mass
Calculate m/z
188.141245
Sum Composition
FA 10:0;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)
UOQXHXSPGSKEGI-SECBINFHSA-N
InChi (Click to copy)
InChI=1S/C10H20O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)/t9-/m1/s1
SMILES (Click to copy)
C(CCCCCCC[C@H](O)C)(=O)O

Other Databases

LIPIDAT ID
4544
CHEBI ID
78951
PubChem CID
5312800

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 205.29
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 2.47
Molar Refractivity 52.15

Admin

Created at
-
Updated at
-