KEGG   COMPOUND: C00207
Entry
C00207                      Compound                               
Name
Acetone;
Dimethyl ketone;
2-Propanone;
Propan-2-one
Formula
C3H6O
Exact mass
58.0419
Mol weight
58.0791
Structure
Remark
Same as: D02311
Reaction
R01366 R01550 R01553 R03796 R05564 R05568 R05735 R08207
R08543 R09002 R09487 R10703 R10704
Pathway
map00650  Butanoate metabolism
map01100  Metabolic pathways
Module
M00088  Ketone body biosynthesis, acetyl-CoA => acetoacetate/3-hydroxybutyrate/acetone
Enzyme
1.1.1.80        1.1.1.-         1.14.13.226     1.14.14.141     
1.14.14.148     1.14.15.-       2.6.3.1         4.1.1.4         
4.1.2.46        4.1.2.47        4.1.99.16       4.2.3.22        
6.4.1.6
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA12 Oxygenated hydrocarbons
   C00207  Propan-2-one
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG02855  CYP2E1 substrate
   D02311  Acetone
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D02311
Other DBs
CAS: 67-64-1
PubChem: 3507
ChEBI: 15347
LIPIDMAPS: LMFA12000057
KNApSAcK: C00048304 C00048954
PDB-CCD: ACN[PDBj]
3DMET: B00058
NIKKAJI: J2.365E
LinkDB
KCF data

ATOM        4
            1   C5a C    22.1200  -16.5200
            2   C1a C    20.9101  -17.2215
            3   C1a C    23.3299  -17.2215
            4   O5a O    22.1200  -15.1171
BOND        3
            1     1   2 1
            2     1   3 1
            3     1   4 2

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