Structure Database (LMSD)

Common Name
29-Hydroxy-3,11-dimethylnonacosan-2-one
Systematic Name
29-Hydroxy-3,11-dimethylnonacosan-2-one
Synonyms
LM ID
LMFA12000234
Formula
C31H62O2
Exact Mass
Calculate m/z
466.474981
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)
ZAZXSLQAPIQFJA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C31H62O2/c1-29(26-22-18-16-19-23-27-30(2)31(3)33)25-21-17-14-12-10-8-6-4-5-7-9-11-13-15-20-24-28-32/h29-30,32H,4-28H2,1-3H3
SMILES (Click to copy)
CC(=O)C(C)CCCCCCCC(C)CCCCCCCCCCCCCCCCCCO

Other Databases

PubChem CID
205990

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 0
Aromatic Rings 0
Rotatable Bonds 27
Van der Waals Molecular Volume 559.80
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 10.49
Molar Refractivity 147.39

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