KEGG   COMPOUND: C02129Help
Entry
C02129                      Compound                               

Name
5-Oxohexanoic acid;
5-Oxohexanoate;
4-Acetylbutyric acid
Formula
C6H10O3
Exact mass
130.063
Mol weight
130.1418
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0106 Oxo fatty acids
    C02129  5-Oxohexanoic acid
BRITE hierarchy
Other DBs
CAS: 
3128-06-1
PubChem: 
ChEBI: 
LIPIDMAPS: 
LipidBank: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        9
            1   C5a C    15.9856  -15.1200
            2   C1b C    17.2010  -15.8210
            3   C1a C    14.7766  -15.8210
            4   O5a O    15.9856  -13.7181
            5   C1b C    18.4100  -15.1200
            6   C1b C    19.6190  -15.8210
            7   C6a C    20.8344  -15.1200
            8   O6a O    22.0434  -15.8210
            9   O6a O    20.8344  -13.7181
BOND        8
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     7   9 2

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