Structure Database (LMSD)

Common Name
Tetradecanedioic acid
Systematic Name
Tetradecanedioic acid
Synonyms
LM ID
LMFA01170018
Formula
C14H26O4
Exact Mass
Calculate m/z
258.18311
Sum Composition
FA 14:1;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)
HQHCYKULIHKCEB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H26O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H2,(H,15,16)(H,17,18)
SMILES (Click to copy)
C(CCCCCCCCCCCCC(=O)O)(=O)O

Other Databases

LIPIDAT ID
1815
KEGG ID
C11002
HMDB ID
HMDB0000872
CHEBI ID
76308
PubChem CID
13185
SwissLipids ID
SLM:000000723

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 280.64
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 3.84
Molar Refractivity 70.68

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Updated at
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