Structure Database (LMSD)

Common Name
4-oxo-9Z,11Z,13E,15E-octadecatetraenoic acid
Systematic Name
4-oxo-9Z,11Z,13E,15E-octadecatetraenoic acid
Synonyms
LM ID
LMFA02000270
Status
Active
Exact Mass
Calculate m/z
290.188195
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)
ZYOSGENSARGRME-BEGPLMEHSA-N
InChi (Click to copy)
InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h3-10H,2,11-16H2,1H3,(H,20,21)/b4-3+,6-5+,8-7-,10-9-
SMILES (Click to copy)
C(CCC(=O)CCCC/C=C\C=C/C=C/C=C/CC)(=O)O

References

Other Databases

LIPIDAT ID
6009
CHEBI ID
PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 330.49
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 4.62
Molar Refractivity 87.20

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Created at
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Updated at
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