Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01050444
Common Name(2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid
Systematic Name(2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid
Synonyms-
Exact Mass
206.0427 (neutral)    Calculate m/z:
FormulaC7H10O7
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
PubChem CID5459784
CHEBI ID15607
InChIKeyHHKPKXCSHMJWCF-WVBDSBKLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C7H10O7/c1-7(14,6(12)13)3(5(10)11)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,1
1)(H,12,13)/t3-,7-/m1/s1
SMILESC(C(O)=O)[C@H](C(O)=O)[C@@](O)(C(O)=O)C
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms14Rings0Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
183.27Topological Polar
Surface Area
132.13Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
7
 logP-0.72Molar
Refractivity
42.15