Structure Database (LMSD)

Common Name
Nonacosanol
Systematic Name
Nonacosan-1-ol
Synonyms
LM ID
LMFA05000457
Formula
C29H60O
Exact Mass
Calculate m/z
424.464415
Sum Composition
FOH 29:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
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

String Representations

InChiKey (Click to copy)
PKBSGDQYUYBUDY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C29H60O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30/h30H,2-29H2,1H3
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCC)CCCCCCCCCCCO

Other Databases

Wikipedia
Nonacosanol
PubChem CID
243696

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 27
Van der Waals Molecular Volume 519.05
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 10.82
Molar Refractivity 137.91

Admin

Created at
-
Updated at
25th Apr 2022