KEGG   COMPOUND: C00902
Entry
C00902                      Compound                               

Name
2-Oxohexanoic acid;
2-Oxohexanoate;
alpha-Ketocaproic acid
Formula
C6H10O3
Exact mass
130.063
Mol weight
130.1418
Structure
Reaction
Enzyme
Brite
Compounds with biological roles [BR:br08001]
 Organic acids
  Carboxylic acids
   2-Oxocarboxylic acids
    C00902  2-Oxohexanoate
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0106 Oxo fatty acids
    C00902  2-Oxohexanoic acid
Other DBs
CAS: 2492-75-3
PubChem: 4157
ChEBI: 17308 35177
ChEMBL: CHEMBL3247426
LipidBank: DFA0391
PDB-CCD: 7N5[PDBj]
3DMET: B00197
NIKKAJI: J206.093K
LinkDB
KCF data

ATOM        9
            1   C5a C    23.3517  -16.5492
            2   C6a C    24.5629  -15.8535
            3   C1b C    22.1342  -15.8535
            4   O5a O    23.3517  -18.0235
            5   O6a O    25.7738  -16.5492
            6   O6a O    24.5629  -14.5891
            7   C1b C    20.9231  -16.5492
            8   C1b C    19.7056  -15.8535
            9   C1a C    18.4944  -16.5492
BOND        8
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     7   8 1
            8     8   9 1

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