Structure Database (LMSD)

Common Name
n-octanol
Systematic Name
Octan-1-ol
Synonyms
  • 1-octanol
LM ID
LMFA05000130
Formula
C8H18O
Exact Mass
Calculate m/z
130.135765
Sum Composition
FOH 8:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
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View NP-MRD ID(NMR) spectrum

Classification

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

Reactions

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ⓘ 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.
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Reactions graph legend

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Pseudomonas putida (#303)
Gammaproteobacteria (#1236)
Antifungal Activity and Alleviation of Salt Stress by Volatile Organic Compounds of Native Pseudomonas Obtained from Mentha piperita.,
Plants (Basel), 2023
Pubmed ID: 37050113

String Representations

InChiKey (Click to copy)
KBPLFHHGFOOTCA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
SMILES (Click to copy)
OCCCCCCCC

Other Databases

Wikipedia
Octanol
KEGG ID
C00756
HMDB ID
HMDB0001183
CHEBI ID
16188
PubChem CID
957
PDB ID
OC9
GuidePharm ID
4278

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 155.75
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 2.62
Molar Refractivity 40.95

Admin

Created at
-
Updated at
25th Apr 2022