Structure Database (LMSD)

O O OH
Common Name
7-Oxotetradecanoic acid
Systematic Name
7-Oxotetradecanoic acid
Synonyms
LM ID
LMFA01060189
Formula
C14H26O3
Exact Mass
Calculate m/z
242.188195
Sum Composition
FA 14:1;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]
Oxo fatty acids [FA0106]

String Representations

InChiKey (Click to copy)
CDYSHNKYPKNGES-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H26O3/c1-2-3-4-5-7-10-13(15)11-8-6-9-12-14(16)17/h2-12H2,1H3,(H,16,17)
SMILES (Click to copy)
C(CCCCCC(=O)CCCCCCC)(=O)O

References

Other Databases

CHEBI ID
180095
PubChem CID
14402359

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 271.85
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 3.95
Molar Refractivity 69.10

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Created at
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Updated at
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