KEGG   COMPOUND: C00583
Entry
C00583                      Compound                               
Name
Propane-1,2-diol;
1,2-Propanediol;
Propylene glycol
Formula
C3H8O2
Exact mass
76.0524
Mol weight
76.09
Structure
Remark
Same as: D00078
Reaction
R02257 R02259 R02376 R02577 R10717
Pathway
map00640  Propanoate metabolism
map01100  Metabolic pathways
Enzyme
1.1.1.6         1.1.1.21        1.1.1.55        1.1.1.77        
4.2.1.28
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 7  Agents not mainly for therapeutic purpose
  71  Dispensing medicines
   713  Solvents
    7139  Others
     D00078  Propylene glycol (JP18/USP)
Animal drugs in Japan [BR:br08331]
 96  Agents affecting metabolism
  964  Saccharide preparations and blood substitutes
   9646  Propylene glycol and preparations
    C00583  Propylene glycol
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00078  Propylene glycol
Other DBs
CAS: 57-55-6
PubChem: 3862
ChEBI: 16997
KNApSAcK: C00007410
NIKKAJI: J1.918F
LinkDB
KCF data

ATOM        5
            1   C1c C    21.4977  -15.8200
            2   C1b C    22.7068  -15.1190
            3   C1a C    20.2823  -15.1190
            4   O1a O    21.4977  -17.3619
            5   O1a O    23.9156  -15.8200
BOND        4
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1

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