KEGG   COMPOUND: C01949
Entry
C01949                      Compound                               
Name
Pentan-2-one;
2-Pentanone;
Methyl propyl ketone
Formula
C5H10O
Exact mass
86.0732
Mol weight
86.13
Structure
Reaction
R03781
Enzyme
3.7.1.7
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA12 Oxygenated hydrocarbons
   C01949  Pentan-2-one
Other DBs
CAS: 107-87-9
PubChem: 5052
ChEBI: 16472
LIPIDMAPS: LMFA12000003
PDB-CCD: PNH[PDBj]
NIKKAJI: J5.065B
KCF data

ATOM        6
            1   C1b C    16.5306  -15.6354
            2   C5a C    17.7400  -14.9341
            3   C1b C    15.3148  -14.9341
            4   C1a C    18.9495  -15.6354
            5   O5a O    17.7400  -13.6018
            6   C1a C    14.1053  -15.6354
BOND        5
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 2
            5     3   6 1

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Chemical substance (11)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   LIPIDMAPS (1)   
   MASSBANK (4)   
   NIKKAJI (1)   
   PDB-CCD (1)   
Chemical reaction (2)   
   KEGG ENZYME (1)   
   KEGG REACTION (1)   
All databases (13)   

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