Structure Database (LMSD)

Common Name
Hexacosanedioic acid
Systematic Name
Hexacosanedioic acid
Synonyms
LM ID
LMFA01170040
Formula
C26H50O4
Exact Mass
Calculate m/z
426.37091
Sum Composition
FA 26:1;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Dicarboxylic acids [FA0117]

String Representations

InChiKey (Click to copy)
JJWZFUFNJNGKAF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H50O4/c27-25(28)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(29)30/h1-24H2,(H,27,28)(H,29,30)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O)(=O)O

Other Databases

LIPIDAT ID
4251
CHEBI ID
76334
PubChem CID
9543670
SwissLipids ID
SLM:000389362

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 25
Van der Waals Molecular Volume 488.24
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 8.52
Molar Refractivity 126.08

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Created at
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Updated at
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