Structure database (LMSD)

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LM IDLMFA01170062
Common Name2,4-dihydroxy-2-heptenedioc acid
Systematic Name2,4-dihydroxy-2-heptenedioc acid
Synonyms2,4-Dihydroxyhept-2-enedioc acid
Exact Mass
190.0477 (neutral)    Calculate m/z:
FormulaC7H10O6
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassDicarboxylic acids [FA0117]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
PubChem CID5280910
KEGG IDC06201
CHEBI ID915
InChIKeyAPNIDHDQYISZAE-HYXAFXHYSA-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/h3-4,8-9H,1-2H2,(H,10,11)(H,12,1
3)/b5-3-
SMILESC(=C(/O)\C(=O)O)/C(O)CCC(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms13Rings0Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
174.48Topological Polar
Surface Area
115.06Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP0.02Molar
Refractivity
41.74