Structure Database (LMSD)

Common Name
(R)-2-ethylmalic acid
Systematic Name
(2R)-2-ethyl-2-hydroxybutanedioic acid
Synonyms
LM ID
LMFA01050454
Status
Active
Exact Mass
Calculate m/z
162.052825
Formula
C6H10O5
Abbrev
FA 6:1;O3
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
YVYGHRNLPUMVBU-ZCFIWIBFSA-N
InChi (Click to copy)
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
SMILES (Click to copy)
C(=O)(O)[C@@](O)(CC)CC(=O)O

References

Other Databases

KEGG ID
C02488
CHEBI ID
15583
PubChem CID
5280519

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 151.03
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP -0.03
Molar Refractivity 35.64

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Updated at
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