KEGG   COMPOUND: C06001
Entry
C06001                      Compound                               
Name
(S)-3-Hydroxyisobutyrate
Formula
C4H8O3
Exact mass
104.0473
Mol weight
104.1045
Structure
Reaction
Pathway
map00280  Valine, leucine and isoleucine degradation
map01100  Metabolic pathways
Enzyme
1.1.1.31        3.1.2.4
Other DBs
PubChem: 8275
ChEBI: 37373 62638
PDB-CCD: HUI[PDBj]
3DMET: B01946
NIKKAJI: J61.903E
KCF data

ATOM        7
            1   C1c C    25.8359  -20.9709
            2   C6a C    27.0492  -20.2709
            3   C1b C    24.6224  -20.2766
            4   C1a C    25.8300  -22.3710
            5   O6a O    28.2625  -20.9592
            6   O6a O    27.0433  -18.8649
            7   O1a O    23.4160  -20.9796
BOND        6
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 2
            6     3   7 1

» Japanese version

KEGG   COMPOUND: C02632
Entry
C02632                      Compound                               
Name
2-Methylpropanoate;
2-Methylpropanoic acid;
Isobutyric acid;
Isobutanoate;
Dimethylacetic acid;
Isobutyrate
Formula
C4H8O2
Exact mass
88.0524
Mol weight
88.1051
Structure
Reaction
Pathway
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
map04974  Protein digestion and absorption
Module
M00539  Cumate degradation, p-cumate => 2-oxopent-4-enoate + 2-methylpropanoate
Enzyme
2.7.2.14        3.7.1.-
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0102 Branched fatty acids
    C02632  2-Methylpropanoate
Other DBs
CAS: 79-31-2
PubChem: 5612
ChEBI: 16135
LIPIDMAPS: LMFA01020071
KNApSAcK: C00029462
PDB-CCD: ALQ[PDBj]
3DMET: B00469
NIKKAJI: J3.840G
KCF data

ATOM        6
            1   C1c C    28.2354  -16.5926
            2   C6a C    29.4446  -17.2874
            3   C1a C    27.0194  -17.2874
            4   C1a C    28.2354  -15.1903
            5   O6a O    29.4446  -18.6897
            6   O6a O    30.6606  -16.5926
BOND        5
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1

» Japanese version

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