Structure Database (LMSD)

Common Name
17-oxo-20Z-hexacosenoic acid
Systematic Name
17-oxo-20Z-hexacosenoic acid
Synonyms
LM ID
LMFA01060149
Formula
C26H48O3
Exact Mass
Calculate m/z
408.360345
Sum Composition
FA 26:2;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]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
KBDNHCBOCXMQNL-SSZFMOIBSA-N
InChi (Click to copy)
InChI=1S/C26H48O3/c1-2-3-4-5-13-16-19-22-25(27)23-20-17-14-11-9-7-6-8-10-12-15-18-21-24-26(28)29/h13,16H,2-12,14-15,17-24H2,1H3,(H,28,29)/b16-13-
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCC(=O)CC/C=C\CCCCC)(=O)O

Other Databases

LIPIDAT ID
5975
CHEBI ID
165428
PubChem CID
5312936
PlantFA ID
10375

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 23
Van der Waals Molecular Volume 476.81
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 8.41
Molar Refractivity 124.41

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Created at
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Updated at
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