KEGG   COMPOUND: C02122
Entry
C02122                      Compound                               
Name
3-Oxohexanoic acid;
3-Oxohexanoate
Formula
C6H10O3
Exact mass
130.0630
Mol weight
130.14
Structure
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0106 Oxo fatty acids
    C02122  3-Oxohexanoic acid
Other DBs
PubChem: 5201
ChEBI: 28422 37030
LIPIDMAPS: LMFA01060008
NIKKAJI: J206.094I
KCF data

ATOM        9
            1   C1b C    19.6353  -15.8210
            2   C5a C    18.4200  -15.1200
            3   C6a C    20.8443  -15.1200
            4   C1b C    17.2109  -15.8210
            5   O5a O    18.4200  -13.7181
            6   O6a O    22.0534  -15.8210
            7   O6a O    20.8443  -13.7181
            8   C1b C    15.9956  -15.1200
            9   C1a C    14.7866  -15.8210
BOND        8
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 2
            5     3   6 1
            6     3   7 2
            7     4   8 1
            8     8   9 1

» Japanese version

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Chemical substance (6)   
   PubChem (1)   
   ChEBI (2)   
   HMDB (1)   
   LIPIDMAPS (1)   
   NIKKAJI (1)   
All databases (6)   

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