KEGG   COMPOUND: C06006
Entry
C06006                      Compound                               
Name
(S)-2-Aceto-2-hydroxybutanoate;
(S)-2-Hydroxy-2-ethyl-3-oxobutanoate;
(2S)-2-Ethyl-2-hydroxy-3-oxobutanoic acid
Formula
C6H10O4
Exact mass
146.0579
Mol weight
146.1412
Structure
Reaction
Pathway
map00290  Valine, leucine and isoleucine biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01210  2-Oxocarboxylic acid metabolism
map01230  Biosynthesis of amino acids
Module
M00019  Valine/isoleucine biosynthesis, pyruvate => valine / 2-oxobutanoate => isoleucine
M00570  Isoleucine biosynthesis, threonine => 2-oxobutanoate => isoleucine
Enzyme
1.1.1.86        2.2.1.6         5.4.99.3
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0105 Hydroxy fatty acids
    C06006  (2S)-2-ethyl-2-hydroxy-3-oxobutanoic acid
Other DBs
PubChem: 8279
ChEBI: 27681 49256
LIPIDMAPS: LMFA01050383
3DMET: B01948
NIKKAJI: J372.593F
KCF data

ATOM        10
            1   C1d C    37.3913  -23.0339
            2   C5a C    36.2223  -22.3670
            3   C6a C    38.5648  -22.3514
            4   C1b C    36.7724  -24.3462
            5   O1a O    38.1353  -24.4845
            6   C1a C    35.0551  -23.0435
            7   O5a O    36.2204  -21.0052
            8   O6a O    39.7339  -23.0246
            9   O6a O    38.5630  -20.9959
            10  C1a C    36.7724  -25.7462
BOND        9
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 2
            7     3   8 1
            8     3   9 2
            9     4  10 1

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