Structure Database (LMSD)

O OH
Common Name
17Z-pentacosenoic acid
Systematic Name
17Z-pentacosenoic acid
Synonyms
  • C25:1n-8
LM ID
LMFA01030419
Formula
C25H48O2
Exact Mass
Calculate m/z
380.36543
Sum Composition
FA 25:1
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]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
CNSUGAOPCQLYKZ-HJWRWDBZSA-N
InChi (Click to copy)
InChI=1S/C25H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27/h8-9H,2-7,10-24H2,1H3,(H,26,27)/b9-8-
SMILES (Click to copy)
C(CCCCCCCCCCCCCCC/C=C\CCCCCCC)(=O)O

References

Other Databases

LIPIDAT ID
6051
PubChem CID
5312568

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 22
Van der Waals Molecular Volume 453.36
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 8.84
Molar Refractivity 119.41

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022