Structure Database (LMSD)

Common Name
2-oxo-tricosanoic acid
Systematic Name
2-oxo-tricosanoic acid
Synonyms
LM ID
LMFA01060144
Formula
C23H44O3
Exact Mass
Calculate m/z
368.329045
Sum Composition
FA 23:1;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Oxo fatty acids [FA0106]

String Representations

InChiKey (Click to copy)
MJYNGVHWLRDRHF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23(25)26/h2-21H2,1H3,(H,25,26)
SMILES (Click to copy)
C(C(=O)CCCCCCCCCCCCCCCCCCCCC)(=O)O

Other Databases

LIPIDAT ID
2203
PubChem CID
5312932

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 21
Van der Waals Molecular Volume 427.55
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 7.46
Molar Refractivity 110.66

Admin

Created at
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Updated at
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