KEGG   COMPOUND: C05979
Entry
C05979                      Compound                               
Name
Propane-1-ol;
Propanol;
1-Propanol;
Propan-1-ol;
Propyl alcohol;
1-Hydroxypropane;
Ethylcarbinol;
n-Propanol;
n-Propyl alcohol;
Optal;
Osmosol extra;
UN 1274
Formula
C3H8O
Exact mass
60.0575
Mol weight
60.095
Structure
Remark
ATC code: D08AX03
Reaction
R02377 R05061
Pathway
map00640  Propanoate metabolism
map01100  Metabolic pathways
Enzyme
1.1.1.202       2.3.1.152
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA05 Fatty alcohols
   C05979  1-Propanol
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D08 ANTISEPTICS AND DISINFECTANTS
   D08A ANTISEPTICS AND DISINFECTANTS
    D08AX Other antiseptics and disinfectants
     D08AX03 Propanol
      C05979  Propane-1-ol
Other DBs
CAS: 71-23-8
PubChem: 8258
ChEBI: 28831
LIPIDMAPS: LMFA05000101
PDB-CCD: POL[PDBj]
3DMET: B00883
NIKKAJI: J1.422B
LinkDB
KCF data

ATOM        4
            1   C1b C    21.9315  -16.8004
            2   C1b C    23.1485  -17.4996
            3   C1a C    20.7207  -17.4996
            4   O1a O    24.3593  -16.8004
BOND        3
            1     1   2 1
            2     1   3 1
            3     2   4 1

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