Structure Database (LMSD)

Common Name
Heptacosanol
Systematic Name
Heptacosan-1-ol
Synonyms
LM ID
LMFA05000456
Formula
C27H56O
Exact Mass
Calculate m/z
396.433115
Sum Composition
FOH 27:0
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)
ULCZGKYHRYJXAU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C27H56O/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/h28H,2-27H2,1H3
SMILES (Click to copy)
C(CCCCCCCCCCCCCCC)CCCCCCCCCCCO

References

Other Databases

Wikipedia
Heptacosanol
CHEBI ID
133981
PubChem CID
74822

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 25
Van der Waals Molecular Volume 484.45
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 10.04
Molar Refractivity 128.67

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