Structure Database (LMSD)

O OH
Common Name
heptatriacontanoic acid
Systematic Name
heptatriacontanoic acid
Synonyms
  • C37:0
LM ID
LMFA01010037
Formula
C37H74O2
Exact Mass
Calculate m/z
550.56888
Sum Composition
FA 37:0
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)
DEQQJCLFURALOA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C37H74O2/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/h2-36H2,1H3,(H,38,39)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCC(O)=O)CCCCCCCCCCCCCCCCC

References

Other Databases

CHEBI ID
165442
LIPIDBANK ID
DFA0037
PubChem CID
5282597

Calculated Physicochemical Properties

Heavy Atoms 39
Rings 0
Aromatic Rings 0
Rotatable Bonds 35
Van der Waals Molecular Volume 663.60
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 13.74
Molar Refractivity 174.90

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022