Structure Database (LMSD)

Common Name
2Z-Octen-1-ol
Systematic Name
2Z-Octen-1-ol
Synonyms
LM ID
LMFA05000126
Formula
C8H16O
Exact Mass
Calculate m/z
128.120115
Sum Composition
FOH 8:1
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

Reactions

Filter by species:
ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
Click on an edge to display the reaction(s).
Reactions graph legend

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Anthoxanthum odoratum (#29661)
Magnoliopsida (#3398)
Coumarin-Containing Grass: Volatiles from Sweet Vernalgrass (Anthoxanthum odoratum L.),
J Essn Oil Res, 2011

String Representations

InChiKey (Click to copy)
AYQPVPFZWIQERS-SREVYHEPSA-N
InChi (Click to copy)
InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3/b7-6-
SMILES (Click to copy)
OC/C=C\CCCCC

Other Databases

HMDB ID
HMDB0031296
CHEBI ID
89054
PubChem CID
5364959

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 153.11
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 2.40
Molar Refractivity 40.86

Admin

Created at
-
Updated at
28th Nov 2024