Structure Database (LMSD)

O HO O OH
Common Name
Pentadecanedioic acid
Systematic Name
Pentadecanedioic acid
Synonyms
LM ID
LMFA01170021
Formula
C15H28O4
Exact Mass
Calculate m/z
272.19876
Sum Composition
FA 15:1;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]
Dicarboxylic acids [FA0117]

String Representations

InChiKey (Click to copy)
BTZVDPWKGXMQFW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H28O4/c16-14(17)12-10-8-6-4-2-1-3-5-7-9-11-13-15(18)19/h1-13H2,(H,16,17)(H,18,19)
SMILES (Click to copy)
C(CCCCCCCCCCCCCC(=O)O)(=O)O

References

Other Databases

LIPIDAT ID
8336
CHEBI ID
165387
PubChem CID
160576

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 297.94
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 4.23
Molar Refractivity 75.29

Admin

Created at
-
Updated at
-