Structure Database (LMSD)

Common Name
2R-hydroxy-stearic acid
Systematic Name
2R-hydroxy-octadecanoic acid
Synonyms
LM ID
LMFA02000195
Formula
C18H36O3
Exact Mass
Calculate m/z
300.266445
Sum Composition
FA 18:0;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

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

String Representations

InChiKey (Click to copy)
KIHBGTRZFAVZRV-QGZVFWFLSA-N
InChi (Click to copy)
InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m1/s1
SMILES (Click to copy)
C([C@H](O)CCCCCCCCCCCCCCCC)(=O)O

Other Databases

KEGG ID
C03042
CHEBI ID
15913
PubChem CID
439885

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 343.69
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 5.59
Molar Refractivity 89.08

Admin

Created at
-
Updated at
-