Structure Database (LMSD)

Common Name
(Z)-octadeca-9,17-dien-12,14-diyne-1,16-diol
Systematic Name
Octadeca-9Z,17-dien-12,14-diyne-1,16-diol
Synonyms
LM ID
LMFA01050556
Formula
C18H26O2
Exact Mass
Calculate m/z
274.19328
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]
Octadecanoids [FA02]

References

Reference
Biosynthesis and function of polyacetylenes and allied natural products. Robert E. Minto and Brenda J. Blacklock. Progress in Lipid Research. Volume 47, Dec 2007, pp. 233-306.

https://www.sciencedirect.com/science/article/pii/S0163782708000155?via%3Dihub

String Representations

InChiKey (Click to copy)
ODKNULFBMLGPHW-XQRVVYSFSA-N
InChi (Click to copy)
InChI=1S/C18H26O2/c1-2-18(20)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h2,4,6,18-20H,1,3,5,7-9,11,13,15,17H2/b6-4-
SMILES (Click to copy)
C(#CC#CC/C=C\CCCCCCCCO)C(O)C=C

Other Databases

PubChem CID
134812113

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 321.70
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 3.78
Molar Refractivity 85.92

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Updated at
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