Structure Database (LMSD)

Common Name
(Z)-16-hydroxyoctadeca-9,17-dien-12,14-diynoic acid
Systematic Name
16-hydroxyoctadeca-9Z,17-dien-12,14-diynoic acid
Synonyms
LM ID
LMFA01031141
Formula
Exact Mass
Calculate m/z
288.172545
Sum Composition
Status
Active

Classification

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)
HQHIHSWDBHBMOJ-HYXAFXHYSA-N
InChi (Click to copy)
InChI=1S/C18H24O3/c1-2-17(19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)21/h2-3,5,17,19H,1,4,6-8,10,12,14,16H2,(H,20,21)/b5-3-
SMILES (Click to copy)
C(/C=C\CCCCCCCC(=O)O)C#CC#CC(O)C=C

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 327.85
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 3.59
Molar Refractivity 85.98

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Updated at
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