Structure Database (LMSD)
Common Name
Pimelic acid
Systematic Name
Heptanedioic acid
Synonyms
3D model of Pimelic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
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
PDB 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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