Structure Database (LMSD)

Common Name
hentriacontane-14,16-dione
Systematic Name
hentriacontane-14,16-dione
Synonyms
  • Hentriacontane-14,16-dione
LM ID
LMFA12000006
Formula
C31H60O2
Exact Mass
Calculate m/z
464.45933
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)
LZBJUTTUMRSJBP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C31H60O2/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-31(33)29-30(32)27-25-23-21-19-17-14-12-10-8-6-4-2/h3-29H2,1-2H3
SMILES (Click to copy)
C(CCCCCCCCCCCCCC)C(=O)CC(=O)CCCCCCCCCCCCC

Other Databases

KEGG ID
C08377
CHEBI ID
5660
PubChem CID
441489

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 0
Aromatic Rings 0
Rotatable Bonds 28
Van der Waals Molecular Volume 557.16
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 10.70
Molar Refractivity 146.02

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Created at
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Updated at
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