KEGG   COMPOUND: C08380Help
Entry
C08380                      Compound                               

Name
2-Heptanone;
Heptan-2-one;
Methyl n-amyl ketone
Formula
C7H14O
Exact mass
114.1045
Mol weight
114.1855
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA12 Oxygenated hydrocarbons
   C08380  Heptan-2-one
BRITE hierarchy
Other DBs
CAS: 
110-43-0
PubChem: 
ChEBI: 
LIPIDMAPS: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        8
            1   C1b C    27.6356  -17.9273
            2   C1b C    28.8702  -17.2661
            3   C5a C    26.4419  -17.1901
            4   C1b C    30.0579  -18.0033
            5   C1a C    25.2133  -17.8513
            6   O5a O    26.4887  -15.7918
            7   C1b C    31.2923  -17.3363
            8   C1a C    32.4801  -18.0795
BOND        7
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 2
            6     4   7 1
            7     7   8 1

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