Structure Database (LMSD)

Common Name
19-oxo-22Z-octacosenoic acid
Systematic Name
19-oxo-22Z-octacosenoic acid
Synonyms
LM ID
LMFA01060150
Status
Active
Exact Mass
Calculate m/z
436.391645
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

References

Other Databases

LIPIDAT ID
5994
PubChem CID
PlantFA ID

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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