Structure Database (LMSD)

Common Name
12-oxo-10Z-dodecenoic acid
Systematic Name
12-oxo-10Z-dodecenoic acid
Synonyms
LM ID
LMFA01060094
Formula
C12H20O3
Exact Mass
Calculate m/z
212.141245
Sum Composition
FA 12:2;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)
INMKWUNQKOWGEZ-CLFYSBASSA-N
InChi (Click to copy)
InChI=1S/C12H20O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h7,9,11H,1-6,8,10H2,(H,14,15)/b9-7-
SMILES (Click to copy)
C(CCCCCCCC/C=C\C([H])=O)(=O)O

Other Databases

LIPIDAT ID
5971
CHEBI ID
137712
PubChem CID
5312890

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 234.61
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 2.95
Molar Refractivity 59.78

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Created at
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Updated at
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