Structure Database (LMSD)

O OH
Common Name
21Z-octacosenoic acid
Systematic Name
21Z-octacosenoic acid
Synonyms
  • C28:1n-7
LM ID
LMFA01030431
Formula
C28H54O2
Exact Mass
Calculate m/z
422.41238
Sum Composition
FA 28:1
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)
CAALPBCGPHIIHA-FPLPWBNLSA-N
InChi (Click to copy)
InChI=1S/C28H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h7-8H,2-6,9-27H2,1H3,(H,29,30)/b8-7-
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCC/C=C\CCCCCC)(=O)O

References

Other Databases

LIPIDAT ID
5510
PubChem CID
5312580

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 25
Van der Waals Molecular Volume 505.26
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 10.01
Molar Refractivity 133.26

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022