Structure Database (LMSD)

O OH
Common Name
nonacosanoic acid
Systematic Name
nonacosanoic acid
Synonyms
  • C29:0
LM ID
LMFA01010029
Formula
C29H58O2
Exact Mass
Calculate m/z
438.44368
Sum Composition
FA 29:0
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]
Straight chain fatty acids [FA0101]

String Representations

InChiKey (Click to copy)
IHEJEKZAKSNRLY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C29H58O2/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)31/h2-28H2,1H3,(H,30,31)
SMILES (Click to copy)
C(CCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCCCC

References

Other Databases

HMDB ID
HMDB0002230
CHEBI ID
84867
LIPIDBANK ID
DFA0029
PubChem CID
20245
PlantFA ID
10531

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 0
Aromatic Rings 0
Rotatable Bonds 27
Van der Waals Molecular Volume 525.20
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 10.62
Molar Refractivity 137.97

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022