Structure Database (LMSD)
Common Name
Sebacic acid
Systematic Name
Decanedioic acid
Synonyms
- Iponic acid
- Ipomic acid
LM ID
LMFA01170006
Formula
Exact Mass
Calculate m/z
202.12051
Sum Composition
Status
Active
3D model of Sebacic 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)
CXMXRPHRNRROMY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)
SMILES (Click to copy)
C(CCCCCCCCC(=O)O)(=O)O
References
Other Databases
Wikipedia
LIPIDAT ID
1818
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
PlantFA ID
SwissLipids ID
PDB ID
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
211.44
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
2.28
Molar Refractivity
52.21
Admin
Created at
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Updated at
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