KEGG   COMPOUND: C00756
Entry
C00756                      Compound                               
Name
1-Octanol;
Octan-1-ol
Formula
C8H18O
Exact mass
130.1358
Mol weight
130.2279
Structure
Reaction
Enzyme
1.1.1.1         1.1.1.73        1.14.15.3
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA05 Fatty alcohols
   C00756  1-Octanol
Other DBs
CAS: 111-87-5
PubChem: 4018
ChEBI: 16188
LIPIDMAPS: LMFA05000130
KNApSAcK: C00001264
PDB-CCD: OC9[PDBj]
3DMET: B00168
NIKKAJI: J2.459G
LinkDB
KCF data

ATOM        9
            1   C1b C    22.1200  -16.5496
            2   C1b C    20.9072  -15.8530
            3   C1b C    23.3328  -15.8530
            4   C1b C    19.6881  -16.5496
            5   C1b C    24.5519  -16.5496
            6   C1b C    18.4753  -15.8530
            7   C1b C    25.7647  -15.8530
            8   C1a C    17.2625  -16.5496
            9   O1a O    26.9775  -16.5496
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 1

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