Structure database (LMSD)

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LM IDLMFA01170006
Common NameSebacic acid (W)
Systematic NameDecanedioic acid
SynonymsIponic acid; Ipomic acid
Exact Mass
202.1205 (neutral)    Calculate m/z:
FormulaC10H18O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassDicarboxylic acids [FA0117]
LIPIDAT ID1818
PubChem CID5192
KEGG IDC08277
HMDB IDHMDB0000792
CHEBI ID41865
PlantFA ID10242
SWISSLIPIDS IDSLM:000000722
InChIKeyCXMXRPHRNRROMY-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)
SMILESC(CCCCCCCCC(=O)O)(=O)O
MS SpectraView MoNA MS spectra     
Ion mobilityView Ion mobility data
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms14Rings0Aromatic Rings0Rotatable Bonds9
 van der Waals
Molecular Volume
211.44Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP2.28Molar
Refractivity
52.21