C00109

Entry

C00109                      Compound

Name

2-Oxobutanoate;
2-Ketobutyric acid;
2-Oxobutyric acid;
2-Oxobutyrate;
2-Oxobutanoic acid;
alpha-Ketobutyric acid;
alpha-Ketobutyrate

Formula

C4H6O3

Exact mass

102.0317

Mol weight

102.0886

Structure

Reaction

R00654 R00993 R00994 R00995 R00996 R00997 R00998 R00999
R01000 R01001 R01199 R01283 R04673 R04770 R04930 R05840
R06987 R08637 R08648 R10991 R10992 R10996 R11098

Pathway

map00260

Glycine, serine and threonine metabolism

map00270

Cysteine and methionine metabolism

map00290

Valine, leucine and isoleucine biosynthesis

map00640

Propanoate metabolism

map00660

C5-Branched dibasic acid metabolism

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

M00535

Isoleucine biosynthesis, pyruvate => 2-oxobutanoate

M00570

Isoleucine biosynthesis, threonine => 2-oxobutanoate => isoleucine

Enzyme

1.1.1.27        1.1.1.85        1.2.3.-         1.2.4.4
1.2.7.1         2.2.1.6         2.3.1.54        2.3.3.6
2.5.1.48        2.6.1.42        2.6.1.44        3.5.99.7
3.5.99.10       4.1.1.112       4.3.1.19        4.4.1.1
4.4.1.2         4.4.1.11

Brite

Compounds with biological roles [BR:br08001]
Organic acids
  Carboxylic acids
   2-Oxocarboxylic acids
    C00109  2-Oxobutanoate
Lipids [BR:br08002]
FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0106 Oxo fatty acids
    C00109  2-Oxobutanoic acid

Other DBs

CAS:

600-18-0

PubChem:

3409

ChEBI:

16763 30831

LIPIDMAPS:

LMFA01060002

KNApSAcK:

C00019675

PDB-CCD:

2KT[PDBj]

3DMET:

B00028

NIKKAJI:

J2.726J

KCF data

ATOM        7
            1   C5a C    22.1561  -16.5428
            2   C6a C    23.3734  -15.8406
            3   C1b C    20.9451  -15.8406
            4   O5a O    22.2196  -18.0740
            5   O6a O    24.5844  -16.5428
            6   O6a O    23.3671  -14.5065
            7   C1a C    19.7342  -16.5428
BOND        6
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1