Structure Database (LMSD)

O OH
Common Name
hexatetracontanoic acid
Systematic Name
hexatetracontanoic acid
Synonyms
  • C46:0
LM ID
LMFA01010039
Formula
C46H92O2
Exact Mass
Calculate m/z
676.70973
Sum Composition
FA 46:0
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)
PLPABYLKGGTKBQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C46H92O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46(47)48/h2-45H2,1H3,(H,47,48)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCC(O)=O)CCCCCCCCCCCCCCCCCCCCCCCCCC

References

Other Databases

CHEBI ID
165443
LIPIDBANK ID
DFA0039
PubChem CID
5282599

Calculated Physicochemical Properties

Heavy Atoms 48
Rings 0
Aromatic Rings 0
Rotatable Bonds 44
Van der Waals Molecular Volume 819.30
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 17.26
Molar Refractivity 216.46

Reactions

Filter by species:
ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
Click on an edge to display the reaction(s).
Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022