Structure Database (LMSD)

HO
Common Name
15-Nonacosanol
Systematic Name
nonacosan-15-ol
Synonyms
LM ID
LMFA05000592
Formula
C29H60O
Exact Mass
Calculate m/z
424.464415
Sum Composition
FOH 29:0
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)
KENDAPSPCLAHAG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C29H60O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29(30)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30H,3-28H2,1-2H3
SMILES (Click to copy)
CCCCCCCCCCCCCCC(O)CCCCCCCCCCCCCC

References

Other Databases

HMDB ID
HMDB0033180
CHEBI ID
184816
PubChem CID
18459409

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 26
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

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Created at
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Updated at
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