Structure Database (LMSD)

Common Name
nonacosane
Systematic Name
nonacosane
Synonyms
  • n-nonacosane
LM ID
LMFA11000005
Formula
C29H60
Exact Mass
Calculate m/z
408.4695
Status
Active
Show lipids differing only in stereochemistry/bond geometry
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Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Hydrocarbons [FA11]

String Representations

InChiKey (Click to copy)
IGGUPRCHHJZPBS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C29H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-29H2,1-2H3
SMILES (Click to copy)
C(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC

Other Databases

Wikipedia
nonacosane
KEGG ID
C08384
HMDB ID
HMDB0034288
CHEBI ID
7613
PubChem CID
12409

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 26
Van der Waals Molecular Volume 510.26
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 11.56
Molar Refractivity 136.01

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Updated at
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