Structure Database (LMSD)

Common Name
2,3-dimethylmalic acid
Systematic Name
2-hydroxy-2,3-dimethylbutanedioic acid
Synonyms
LM ID
LMFA01050470
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)
WTIIULQJLZEHGZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H10O5/c1-3(4(7)8)6(2,11)5(9)10/h3,11H,1-2H3,(H,7,8)(H,9,10)
SMILES (Click to copy)
C(C(O)=O)(C(C(O)=O)C)(C)O

References

Other Databases

CHEBI ID
15590
PubChem CID
392323

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 151.03
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP -0.17
Molar Refractivity 35.57

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Updated at
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