KEGG   COMPOUND: C02457
Entry
C02457                      Compound                               
Name
Propane-1,3-diol;
1,3-Propanediol;
Trimethylene glycol
Formula
C3H8O2
Exact mass
76.0524
Mol weight
76.09
Structure
Reaction
R03119
Pathway
map00561  Glycerolipid metabolism
Enzyme
1.1.1.202
Other DBs
CAS: 504-63-2
PubChem: 5477
ChEBI: 16109
PDB-CCD: PDO[PDBj]
NIKKAJI: J2.606I
LinkDB
KCF data

ATOM        5
            1   C1b C    18.4100  -15.1172
            2   C1b C    17.1984  -14.4212
            3   C1b C    19.6216  -14.4212
            4   O1a O    15.9805  -15.1172
            5   O1a O    20.8395  -15.1172
BOND        4
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1

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