Structure Database (LMSD)

Common Name
hentriacontan-16-one
Systematic Name
hentriacontan-16-one
Synonyms
  • 16-Hentriacontanone
  • Hentriacontan-16-one
  • dipentadecyl ketone
  • palmitone
LM ID
LMFA12000005
Formula
C31H62O
Exact Mass
Calculate m/z
450.480065
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Oxygenated hydrocarbons [FA12]

String Representations

InChiKey (Click to copy)
UNRFDARCMOHDBJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C31H62O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(32)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
SMILES (Click to copy)
C(=O)(CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC

Other Databases

KEGG ID
C08379
HMDB ID
HMDB0031036
CHEBI ID
5658
PubChem CID
94741

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 0
Aromatic Rings 0
Rotatable Bonds 28
Van der Waals Molecular Volume 551.01
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 11.52
Molar Refractivity 145.63

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Created at
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Updated at
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