Structure Database (LMSD)

Common Name
13-Tetradecene-1,3-diyne-6,7-diol
Systematic Name
tetradec-13-en-1,3-diyne-6,7-diol
Synonyms
LM ID
LMFA05000589
Formula
C14H20O2
Exact Mass
Calculate m/z
220.14633
Sum Composition
FOH 14:5;O
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

String Representations

InChiKey (Click to copy)
WOVGAQBKTGZPTO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H20O2/c1-3-5-7-8-10-12-14(16)13(15)11-9-6-4-2/h2-3,13-16H,1,5,7-8,10-12H2
SMILES (Click to copy)
C=CCCCCCC(C(CC#CC#C)O)O

Other Databases

HMDB ID
HMDB0039539
CHEBI ID
169006
PubChem CID
53440552

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 255.14
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 2.44
Molar Refractivity 67.55

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Created at
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Updated at
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