Structure Database (LMSD)

Common Name
Sebacic acid
Systematic Name
Decanedioic acid
Synonyms
  • Iponic acid
  • Ipomic acid
LM ID
LMFA01170006
Status
Active
Exact Mass
Calculate m/z
202.12051
Formula
C10H18O4
Abbrev
FA 10:1;O2
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Dicarboxylic acids [FA0117]

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
decanedioic_acid
LIPIDAT ID
1818
KEGG ID
C08277
HMDB ID
HMDB0000792
CHEBI ID
41865
PubChem CID
5192
PlantFA ID
10242
SwissLipids ID
SLM:000000722

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

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Updated at
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