Structure Database (LMSD)

Common Name
10-Nonacosen-2-one
Systematic Name
10-Nonacosen-2-one
Synonyms
LM ID
LMFA12000233
Formula
C29H56O
Exact Mass
Calculate m/z
420.433116
Status
Curated
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)
LONCPMWQIIGJTP-QZQOTICOSA-N
InChi (Click to copy)
InChI=1S/C29H56O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(2)30/h20-21H,3-19,22-28H2,1-2H3/b21-20+
SMILES (Click to copy)
CC(=O)CCCCCCC/C=C/CCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
56936234

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 25
Van der Waals Molecular Volume 513.77
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 10.51
Molar Refractivity 136.30

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Created at
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Updated at
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