Structure Database (LMSD)

HO O OH
Common Name
28-hydroxy-octacosanoic acid
Systematic Name
28-hydroxy-octacosanoic acid
Synonyms
LM ID
LMFA01050220
Formula
C28H56O3
Exact Mass
Calculate m/z
440.422945
Sum Composition
FA 28:0;O
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]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
DQDKWDYKDPDWMY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C28H56O3/c29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28(30)31/h29H,1-27H2,(H,30,31)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCCCCCCCCCCO)(=O)O

References

Other Databases

LIPIDAT ID
4787
CHEBI ID
84863
PubChem CID
5312786

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 0
Aromatic Rings 0
Rotatable Bonds 27
Van der Waals Molecular Volume 516.69
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 9.49
Molar Refractivity 135.25

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Updated at
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