Structure Database (LMSD)

Common Name
2-hydroxy-pentadecanoic acid
Systematic Name
2-hydroxy-pentadecanoic acid
Synonyms
LM ID
LMFA01050045
Formula
C15H30O3
Exact Mass
Calculate m/z
258.219495
Sum Composition
FA 15:0;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)
NKASEPJANRVKDD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(16)15(17)18/h14,16H,2-13H2,1H3,(H,17,18)
SMILES (Click to copy)
C(CCCCCCCCCCCC)C(O)C(=O)O

Other Databases

CHEBI ID
84853
LIPIDBANK ID
DFA0311
PubChem CID
5282903

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 291.79
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 4.42
Molar Refractivity 75.23

Admin

Created at
-
Updated at
-