KEGG   COMPOUND: C01545Help
Entry
C01545                      Compound                               

Name
1-Octanal;
1-Caprylaldehyde;
1-Octylaldehyde;
1-Octaldehyde
Formula
C8H16O
Exact mass
128.1201
Mol weight
128.212
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Enzyme
1.1.1.1         1.1.1.73
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA06 Fatty aldehydes
   C01545  1-Octanal
BRITE hierarchy
Other DBs
CAS: 
124-13-0
PubChem: 
ChEBI: 
LIPIDMAPS: 
LipidBank: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        9
            1   C1b C    23.8000  -16.9694
            2   C1b C    25.0082  -16.2748
            3   C1b C    22.5860  -16.2748
            4   C1b C    26.2339  -16.9694
            5   C1b C    21.3661  -16.9694
            6   C1b C    27.4538  -16.2748
            7   C4a C    20.1520  -16.2748
            8   C1a C    28.6620  -16.9694
            9   O4a O    18.9380  -16.9694
BOND        8
            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 2

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