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
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
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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