Structure Database (LMSD)

Common Name
Eicosan-1-ol
Systematic Name
Eicosan-1-ol
Synonyms
LM ID
LMFA05000221
Formula
C20H42O
Exact Mass
Calculate m/z
298.323565
Sum Composition
FOH 20:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
BTFJIXJJCSYFAL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3
SMILES (Click to copy)
OCCCCCCCCCCCCCCCCCCCC

References

Comments
Pherobase

Other Databases

HMDB ID
HMDB0011619
CHEBI ID
75627
PubChem CID
12404
SwissLipids ID
SLM:000001241

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 363.35
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 7.31
Molar Refractivity 96.36

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

Admin

Created at
-
Updated at
25th Apr 2022