Structure Database (LMSD)

Common Name
2,3-Dihydroxy-2-methylbutanoic acid
Systematic Name
2,3-dihydroxy-2-methylbutanoic acid
Synonyms
LM ID
LMFA01050468
Formula
C5H10O4
Exact Mass
Calculate m/z
134.05791
Sum Composition
FA 5:0;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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)
AOWPAWLEXIYETE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H10O4/c1-3(6)5(2,9)4(7)8/h3,6,9H,1-2H3,(H,7,8)
SMILES (Click to copy)
O=C(C(O)(C)C(O)C)O

Other Databases

HMDB ID
HMDB0029576
CHEBI ID
173559
PubChem CID
301941

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 127.58
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP -0.22
Molar Refractivity 30.96

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Created at
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Updated at
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