Structure Database (LMSD)

Common Name
2-hydroxy-nonadecanoic acid
Systematic Name
2-hydroxy-nonadecanoic acid
Synonyms
LM ID
LMFA01050071
Formula
C19H38O3
Exact Mass
Calculate m/z
314.282095
Sum Composition
FA 19:0;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)
PYNCEZHRMYECCB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22/h18,20H,2-17H2,1H3,(H,21,22)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCC)C(O)C(=O)O

Other Databases

CHEBI ID
84855
LIPIDBANK ID
DFA0337
PubChem CID
5282916

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 360.99
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 5.98
Molar Refractivity 93.70

Admin

Created at
-
Updated at
-