Structure Database (LMSD)

Common Name
3-keto palmitic acid
Systematic Name
3-oxo-hexadecanoic acid
Synonyms
LM ID
LMFA01060051
Status
Active
Exact Mass
Calculate m/z
270.219495
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)
ASICPMTWQSESKX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h2-14H2,1H3,(H,18,19)
SMILES (Click to copy)
C(CCCCCCCCCCC)CC(=O)CC(=O)O

References

Other Databases

HMDB ID
CHEBI ID
LIPIDBANK ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 306.45
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 4.73
Molar Refractivity 78.34

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Created at
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Updated at
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