Structure Database (LMSD)

Common Name
3,5,7-nonatriyn-1-ol
Systematic Name
Synonyms
LM ID
LMFA05000757
Formula
C9H8O
Exact Mass
Calculate m/z
132.057515
Sum Composition
FOH 9:6
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
Lentinula edodes (#5353)
Agaricomycetes (#155619)
Increased or Induced Formation of Antifungal Substances in Cultures of Lentinus edodes by the Attack of Trichoderma spp,
Proc Jap Acad B, 1987

String Representations

InChiKey (Click to copy)
OMYDFQNJZABHNO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H8O/c1-2-3-4-5-6-7-8-9-10/h10H,8-9H2,1H3
SMILES (Click to copy)
C(CC#CC#CC#CC)O

Other Databases

PubChem CID
71441695

Calculated Physicochemical Properties

Heavy Atoms 10
Rings
Aromatic Rings
Rotatable Bonds 1
Van der Waals Molecular Volume 157.21
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 0.68
Molar Refractivity 41.19

Admin

Created at
31st Jan 2022
Updated at
31st Jan 2022