Structure Database (LMSD)

Common Name
hentriacontan-1-ol
Systematic Name
hentriacontan-1-ol
Synonyms
  • 1-Hentriacontanol
  • Hentriacontan-1-ol
  • Melissylalkohol
  • Myricylalkohol
  • Myrizylalkohol
  • n-hentriacontanol
LM ID
LMFA05000096
Formula
C31H64O
Exact Mass
Calculate m/z
452.495715
Sum Composition
FOH 31:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

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)
ROOBHHSRWJOKSH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C31H64O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32/h32H,2-31H2,1H3
SMILES (Click to copy)
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO

Other Databases

KEGG ID
C08378
CHEBI ID
27640
PubChem CID
68345

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 0
Aromatic Rings 0
Rotatable Bonds 29
Van der Waals Molecular Volume 553.65
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 11.60
Molar Refractivity 147.14

Admin

Created at
-
Updated at
25th Apr 2022