LIPID MAPS

Structure Database (LMSD)

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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

No other lipid differing only in stereochemistry/bond geometry found

Classification

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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