Structure Database (LMSD)

Common Name
7-oxo-11E-Tetradecenoic acid
Systematic Name
7-oxo-11E-Tetradecenoic acid
Synonyms
LM ID
LMFA01060186
Formula
C14H24O3
Exact Mass
Calculate m/z
240.172545
Sum Composition
FA 14:2;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]
Oxo fatty acids [FA0106]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
WPGZVCKWXQHYGF-ONEGZZNKSA-N
InChi (Click to copy)
InChI=1S/C14H24O3/c1-2-3-4-5-7-10-13(15)11-8-6-9-12-14(16)17/h3-4H,2,5-12H2,1H3,(H,16,17)/b4-3+
SMILES (Click to copy)
C(CCCCCC(=O)CCC/C=C/CC)(=O)O

Other Databases

CHEBI ID
169067
PubChem CID
44256505

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 269.21
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 3.73
Molar Refractivity 69.01

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Created at
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Updated at
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