Structure Database (LMSD)

Common Name
3R-hydroxy-5Z-dodecenoic acid
Systematic Name
3R-hydroxy-5Z-dodecenoic acid
Synonyms
  • 5-Dodecenoic acid, 3-hydroxy-, [R-(Z)]-
LM ID
LMFA01050254
Formula
C12H22O3
Exact Mass
Calculate m/z
214.156895
Sum Composition
FA 12:1;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]
Hydroxy fatty acids [FA0105]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
GZUALOWLHSCENG-SKVAFPRGSA-N
InChi (Click to copy)
InChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h7-8,11,13H,2-6,9-10H2,1H3,(H,14,15)/b8-7-/t11-/m1/s1
SMILES (Click to copy)
C(C[C@H](O)C/C=C\CCCCCC)(=O)O

References

Other Databases

LIPIDAT ID
4606
CHEBI ID
165407
PubChem CID
5312807

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 237.25
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 3.03
Molar Refractivity 61.29

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Created at
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Updated at
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