Structure Database (LMSD)

Common Name
Panaxynol
Systematic Name
1,9Z-heptadecadien-4,6-diyn-3-ol
Synonyms
  • heptadeca-1,9Z-dien-4,6-diyn-3-ol
LM ID
LMFA05000019
Formula
C17H24O
Exact Mass
Calculate m/z
244.182715
Sum Composition
FOH 17:6
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)
UGJAEDFOKNAMQD-KHPPLWFESA-N
InChi (Click to copy)
InChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,17-18H,2-3,5-9,12H2,1H3/b11-10-
SMILES (Click to copy)
C(C#CC#CC/C=C\CCCCCCC)(O)C=C

Other Databases

PubChem CID
5283273

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 295.61
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 4.13
Molar Refractivity 79.40

Admin

Created at
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Updated at
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