Structure Database (LMSD)

O O OH
Common Name
11-keto pentadecanoic acid
Systematic Name
11-oxo-pentadecanoic acid
Synonyms
LM ID
LMFA01060048
Formula
C15H28O3
Exact Mass
Calculate m/z
256.203845
Sum Composition
FA 15:1;O
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]
Oxo fatty acids [FA0106]

String Representations

InChiKey (Click to copy)
UQTMRLUPIGBYIJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H28O3/c1-2-3-11-14(16)12-9-7-5-4-6-8-10-13-15(17)18/h2-13H2,1H3,(H,17,18)
SMILES (Click to copy)
C(CCCCCC(=O)CCCC)CCCC(=O)O

References

Other Databases

CHEBI ID
180145
LIPIDBANK ID
DFA0432
PubChem CID
5282994

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 289.15
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 4.34
Molar Refractivity 73.72

Admin

Created at
-
Updated at
-