Structure Database (LMSD)

Common Name
26-hydroxy-hexacosanoic acid
Systematic Name
26-hydroxy-hexacosanoic acid
Synonyms
LM ID
LMFA01050219
Formula
C26H52O3
Exact Mass
Calculate m/z
412.391645
Sum Composition
FA 26:0;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
GGDUSUKUCOFETL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H52O3/c27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26(28)29/h27H,1-25H2,(H,28,29)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCCCCCCCCO)(=O)O

Other Databases

LIPIDAT ID
4696
CHEBI ID
76325
PubChem CID
5312785
SwissLipids ID
SLM:000389364

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 25
Van der Waals Molecular Volume 482.09
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 8.71
Molar Refractivity 126.02

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Created at
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Updated at
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