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
C17H26O3
Exact Mass
Calculate m/z
278.188195
Sum Composition
FOH 17:5;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Panax ginseng (#4054)
Magnoliopsida (#3398)
Polyacetylenes from Panax ginseng roots,
Phytochemistry, 1983

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

Wikipedia
Panaxytriol
HMDB ID
HMDB0031928
PubChem CID
93484

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

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Updated at
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