KEGG   COMPOUND: C16322Help
Entry
C16322                      Compound                               

Name
9-Oxononanoic acid
Formula
C9H16O3
Exact mass
172.1099
Mol weight
172.2215
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00592  alpha-Linolenic acid metabolism
map01110  Biosynthesis of secondary metabolites
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0106 Oxo fatty acids
    C16322  9-Oxononanoic acid
BRITE hierarchy
Other DBs
CAS: 2553-17-5
PubChem: 47205630
ChEBI: 78700
NIKKAJI: J564.228K
KCF data Show

ATOM        12
            1   C4a C    24.9370  -18.4800
            2   C1b C    26.1495  -19.1800
            3   C1b C    27.3619  -18.4800
            4   C1b C    28.5744  -19.1800
            5   C1b C    29.7868  -18.4800
            6   C1b C    30.9992  -19.1800
            7   C1b C    32.2117  -18.4800
            8   C1b C    33.4241  -19.1800
            9   C6a C    34.6365  -18.4800
            10  O6a O    35.8490  -19.1800
            11  O6a O    34.6365  -17.0801
            12  O4a O    23.7119  -19.1874
BOND        11
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10    9  11 2
            11    1  12 2

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