Structure database (LMSD)

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LM IDLMFA01170052
Common Name4-hydroxy-2-oxo-Heptanedioic acid
Systematic Name4-hydroxy-2-oxo-Heptanedioic acid
Synonyms-
Exact Mass
190.0477 (neutral)    Calculate m/z:
FormulaC7H10O6
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassDicarboxylic acids [FA0117]
Alternative ClassesOxo fatty acids[FA0106], Hydroxy fatty acids[FA0105]
LIPIDAT ID4905
PubChem CID553
InChIKeyHNOAJOYERZTSNK-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C7H10O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h4,8H,1-3H2,(H,10,11)(H,12,13)
SMILESC(C(=O)CC(O)CCC(=O)O)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms13Rings0Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
174.48Topological Polar
Surface Area
111.90Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
6
 logP-0.46Molar
Refractivity
40.65