Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01170049
Common Name2-Hydroxyadipic acid
Systematic Name2-hydroxy-Hexanedioic acid
Synonyms-
Exact Mass
162.0528 (neutral)    Calculate m/z:
FormulaC6H10O5
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassDicarboxylic acids [FA0117]
Alternative ClassesHydroxy fatty acids[FA0105]
LIPIDAT ID4736
PubChem CID193530
KEGG IDC02360
HMDB IDHMDB0000321
CHEBI ID17023
InChIKeyOTTXIFWBPRRYOG-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C6H10O5/c7-4(6(10)11)2-1-3-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)
SMILESC(C(O)CCCC(=O)O)(=O)O
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms11Rings0Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
151.03Topological Polar
Surface Area
94.83Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
5
 logP-0.03Molar
Refractivity
35.64