Structure database (LMSD)
Return to Databases Overview

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01050246
Common Name3S-hydroxy-decanoic acid
Systematic Name3S-hydroxy-decanoic acid
SynonymsDecanoic acid, 3-hydroxy-, (S)-; Decanoic acid, 3-hydroxy-, L-; L-β-
Hydroxydecanoic acid; S-3-Hydroxydecanoic acid
Exact Mass
188.1412 (neutral)    Calculate m/z:
FormulaC10H20O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
AbbrevFA 10:0;O
LIPIDAT ID4537
PubChem CID5312799
HMDB IDHMDB10725
CHEBI ID37371
InChIKeyFYSSBMZUBSBFJL-VIFPVBQESA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)/t9-/m0/s1
Click to highlight InChI
SMILES
C(C[C@@H](O)CCCCCCC)(=O)O
Click to highlight SMILES
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms13Rings0Aromatic Rings0Rotatable Bonds8
 van der Waals
Molecular Volume		205.29Topological Polar
Surface Area		57.53Hydrogen
Bond Donors		2Hydrogen
Bond Acceptors		3
 logP2.47Molar
Refractivity		52.15