KEGG   COMPOUND: C01601Help
Entry
C01601                      Compound                               

Name
Nonanoic acid;
Nonanoate;
Pelargonic acid
Formula
C9H18O2
Exact mass
158.1307
Mol weight
158.238
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0101 Straight chain fatty acids
    C01601  Nonanoic acid
BRITE hierarchy
Other DBs
CAS: 
112-05-0
PubChem: 
ChEBI: 
LIPIDMAPS: 
LipidBank: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        11
            1   C1b C    22.7588  -15.1015
            2   C1b C    21.5488  -15.8030
            3   C1b C    23.9755  -15.8030
            4   C1b C    20.3386  -15.1015
            5   C1b C    25.1855  -15.1015
            6   C1b C    19.1221  -15.8030
            7   C6a C    26.3956  -15.8030
            8   C1b C    17.9120  -15.1015
            9   O6a O    26.3956  -17.4798
            10  O6a O    27.6058  -15.0950
            11  C1a C    16.7018  -15.8030
BOND        10
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     5   7 1
            7     6   8 1
            8     7   9 1
            9     7  10 2
            10    8  11 1

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