Structure Database (LMSD)

Common Name
19-oxo-22Z-octacosenoic acid
Systematic Name
19-oxo-22Z-octacosenoic acid
Synonyms
LM ID
LMFA01060150
Formula
C28H52O3
Exact Mass
Calculate m/z
436.391645
Sum Composition
FA 28:2;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)
GOCLYOCYRBWKOT-SDXDJHTJSA-N
InChi (Click to copy)
InChI=1S/C28H52O3/c1-2-3-4-5-15-18-21-24-27(29)25-22-19-16-13-11-9-7-6-8-10-12-14-17-20-23-26-28(30)31/h15,18H,2-14,16-17,19-26H2,1H3,(H,30,31)/b18-15-
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCC(=O)CC/C=C\CCCCC)(=O)O

Other Databases

LIPIDAT ID
5994
PubChem CID
5312937
PlantFA ID
10376

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 0
Aromatic Rings 0
Rotatable Bonds 25
Van der Waals Molecular Volume 511.41
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 9.19
Molar Refractivity 133.65

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Created at
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Updated at
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