Structure Database (LMSD)

OH OH O OH
Common Name
Ipurolic acid
Systematic Name
3,11-dihydroxy-tetradecanoic acid
Synonyms
  • 3,11-dihydroxy myristoic acid
LM ID
LMFA01050081
Formula
C14H28O4
Exact Mass
Calculate m/z
260.19876
Sum Composition
FA 14:0;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
AVKYODWULTZQPQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H28O4/c1-2-8-12(15)9-6-4-3-5-7-10-13(16)11-14(17)18/h12-13,15-16H,2-11H2,1H3,(H,17,18)
SMILES (Click to copy)
CCCC(O)CCCCCCCC(O)CC(=O)O

References

Other Databases

CHEBI ID
187431
LIPIDBANK ID
DFA0347
PubChem CID
5282923
PlantFA ID
10291

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 283.28
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 3.29
Molar Refractivity 72.52

Admin

Created at
-
Updated at
-