Structure Database (LMSD)

Common Name
3-oxohexacosanoic acid
Systematic Name
3-oxohexacosanoic acid
Synonyms
  • 3-oxocerotic acid
LM ID
LMFA01060181
Formula
C26H50O3
Exact Mass
Calculate m/z
410.375995
Sum Composition
FA 26:1;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)
PJQXMTFEXFYZCU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H50O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(27)24-26(28)29/h2-24H2,1H3,(H,28,29)
SMILES (Click to copy)
C(O)(=O)CC(=O)CCCCCCCCCCCCCCCCCCCCCCC

Other Databases

CHEBI ID
52421
PubChem CID
25271613

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 24
Van der Waals Molecular Volume 479.45
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 8.63
Molar Refractivity 124.51

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Updated at
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