Structure Database (LMSD)

Common Name
12-hydroxy-13-tetradecenoic acid
Systematic Name
12-hydroxy-13-tetradecenoic acid
Synonyms
LM ID
LMFA01050180
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

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

Other Databases

LIPIDAT ID
4974
CHEBI ID
180098
PubChem CID
5312754

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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