KEGG   COMPOUND: C01387
Entry
C01387                      Compound                               
Name
Octane;
n-Octane
Formula
C8H18
Exact mass
114.1409
Mol weight
114.2285
Structure
Reaction
R02879
Enzyme
1.14.15.3
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA11 Hydrocarbons
   C01387  n-Octane
Other DBs
CAS: 111-65-9
PubChem: 4581
ChEBI: 17590
LIPIDMAPS: LMFA11000002
KNApSAcK: C00035857
PDB-CCD: OCT[PDBj]
3DMET: B00281
NIKKAJI: J10.709C
KCF data

ATOM        8
            1   C1b C    28.2318  -16.5891
            2   C1b C    29.4482  -17.2909
            3   C1b C    27.0213  -17.2909
            4   C1b C    30.6587  -16.5891
            5   C1b C    25.8107  -16.5891
            6   C1b C    31.8693  -17.2909
            7   C1a C    24.6001  -17.2909
            8   C1a C    33.0799  -16.5891
BOND        7
            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

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Chemical substance (13)   
   PubChem (1)   
   ChEBI (1)   
   3DMET (1)   
   HMDB (1)   
   HSDB (1)   
   KNApSAcK (1)   
   LIPIDMAPS (1)   
   MASSBANK (4)   
   NIKKAJI (1)   
   PDB-CCD (1)   
Chemical reaction (2)   
   KEGG ENZYME (1)   
   KEGG REACTION (1)   
All databases (15)   

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