Structure Database (LMSD)

Common Name
14-hydroxy-12-tetradecenoic acid
Systematic Name
14-hydroxy-12-tetradecenoic acid
Synonyms
LM ID
LMFA01050178
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]
Hydroxy fatty acids [FA0105]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
ICTIYYVVZNILKD-PKNBQFBNSA-N
InChi (Click to copy)
InChI=1S/C14H26O3/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(16)17/h9,11,15H,1-8,10,12-13H2,(H,16,17)/b11-9+
SMILES (Click to copy)
C(CCCCCCCCCC/C=C/CO)(=O)O

References

Other Databases

LIPIDAT ID
4977
CHEBI ID
165401
PubChem CID
5312752

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 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 3.81
Molar Refractivity 70.52

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Created at
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Updated at
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