Structure database (LMSD)

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LM IDLMFA01170048
Common NameAdipic acid (W)
Systematic NameHexanedioic acid
Synonyms-
Exact Mass
146.0579 (neutral)    Calculate m/z:
FormulaC6H10O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassDicarboxylic acids [FA0117]
LIPIDAT ID1822
PubChem CID196
KEGG IDC06104
HMDB IDHMDB0000448
CHEBI ID30832
PlantFA ID10239
SWISSLIPIDS IDSLM:000000720
InChIKeyWNLRTRBMVRJNCN-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
SMILESC(CCCCC(=O)O)(=O)O
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms10Rings0Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
142.24Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP0.72Molar
Refractivity
33.74