Structure Database (LMSD)

Common Name
tritriacontane-16,18-dione
Systematic Name
tritriacontane-16,18-dione
Synonyms
  • N-Tritriacontane-16,18-dione
  • Tritriacontane-16,18-dione
LM ID
LMFA12000007
Formula
C33H64O2
Exact Mass
Calculate m/z
492.49063
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)
BYKYTXUAKJDVPV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C33H64O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32(34)31-33(35)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3
SMILES (Click to copy)
C(=O)(CCCCCCCCCCCCCCC)CC(=O)CCCCCCCCCCCCCCC

Other Databases

KEGG ID
C08394
CHEBI ID
9752
PubChem CID
154874

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 0
Aromatic Rings 0
Rotatable Bonds 30
Van der Waals Molecular Volume 591.76
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 11.48
Molar Refractivity 155.25

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Created at
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Updated at
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