Structure Database (LMSD)

Common Name
Pimelic acid
Systematic Name
Heptanedioic acid
Synonyms
LM ID
LMFA01170051
Status
Active
Exact Mass
Calculate m/z
160.07356
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)
WLJVNTCWHIRURA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)
SMILES (Click to copy)
C(CCCCCC(=O)O)(=O)O

References

Other Databases

Wikipedia
LIPIDAT ID
1821
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 159.54
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 1.11
Molar Refractivity 38.36

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Created at
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Updated at
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