Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01050454
Common Name(R)-2-ethylmalic acid
Systematic Name(2R)-2-ethyl-2-hydroxybutanedioic acid
Synonyms-
Exact Mass
162.0528 (neutral)    Calculate m/z:
FormulaC6H10O5
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
Alternative ClassesBranched fatty acids[FA0102]
AbbrevFA 6:1;O3
PubChem CID5280519
KEGG IDC02488
CHEBI ID15583
InChIKeyYVYGHRNLPUMVBU-ZCFIWIBFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C6H10O5/c1-2-6(11,5(9)10)3-4(7)8/h11H,2-3H2,1H3,(H,7,8)(H,9,10)/t6-/m1/s1
Click to highlight InChI
SMILES
C(=O)(O)[C@@](O)(CC)CC(=O)O
Click to highlight SMILES
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms11Rings0Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
151.03Topological Polar
Surface Area
94.83Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
5
 logP-0.03Molar
Refractivity
35.64