Structure Database (LMSD)
Common Name
Panaxytriol
Systematic Name
1-heptadecen-4,6-diyn-3,9,10-triol
Synonyms
- heptadeca-1-en-4,6-diyn-3,9,10-triol
LM ID
LMFA05000027
Formula
Exact Mass
Calculate m/z
278.188195
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of Panaxytriol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
String Representations
InChiKey (Click to copy)
RDIMTXDFGHNINN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H26O3/c1-3-5-6-7-10-13-16(19)17(20)14-11-8-9-12-15(18)4-2/h4,15-20H,2-3,5-7,10,13-14H2,1H3
SMILES (Click to copy)
C(O)(C=C)C#CC#CCC(O)C(O)CCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
315.83
Topological Polar Surface Area
60.69
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
3
logP
2.87
Molar Refractivity
83.30
Admin
Created at
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Updated at
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