Structure Database (LMSD)

Common Name
octatriacontanoic acid
Systematic Name
octatriacontanoic acid
Synonyms
  • C38:0
LM ID
LMFA01010038
Formula
C38H76O2
Exact Mass
Calculate m/z
564.58453
Sum Composition
FA 38:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Straight chain fatty acids [FA0101]

Reactions

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ⓘ 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.
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Reactions graph legend

String Representations

InChiKey (Click to copy)
AJQRZOBUACOSBG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C38H76O2/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/h2-37H2,1H3,(H,39,40)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCC(O)=O)CCCCCCCCCCCCCCCCCC

Other Databases

CHEBI ID
165445
LIPIDBANK ID
DFA0038
PubChem CID
5282598

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 0
Aromatic Rings 0
Rotatable Bonds 36
Van der Waals Molecular Volume 680.90
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 14.13
Molar Refractivity 179.52

Admin

Created at
-
Updated at
25th Apr 2022