Structure Database (LMSD)

Common Name
6,8-dihydroxy-octanoic acid
Systematic Name
6,8-dihydroxy-octanoic acid
Synonyms
LM ID
LMFA01050228
Formula
C8H16O4
Exact Mass
Calculate m/z
176.10486
Sum Composition
FA 8:0;O2
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)
LJWTVHKBGBUURN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H16O4/c9-6-5-7(10)3-1-2-4-8(11)12/h7,9-10H,1-6H2,(H,11,12)
SMILES (Click to copy)
C(CCCCC(O)CCO)(=O)O

Other Databases

LIPIDAT ID
3056
CHEBI ID
165413
PubChem CID
5312790

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 179.48
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 0.95
Molar Refractivity 44.82

Admin

Created at
-
Updated at
-