KEGG   COMPOUND: C04485
Entry
C04485                      Compound                               
Name
5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene
Formula
C14H12O2S2
Exact mass
276.0279
Mol weight
276.3739
Structure
Reaction
R04490
Enzyme
3.1.1.54
Other DBs
PubChem: 7104
ChEBI: 17181
3DMET: B00723
NIKKAJI: J410.277K
KCF data

ATOM        18
            1   C3b C    25.0158  -19.6258
            2   C3b C    23.8851  -18.9738
            3   C1b C    22.7603  -19.6258
            4   C1b C    21.6355  -18.9738
            5   O7a O    20.5048  -19.6199
            6   C7a C    19.3799  -18.9677
            7   O6a O    19.3860  -17.6694
            8   C1a C    18.2553  -19.6199
            9   C8y C    26.2192  -18.9298
            10  S2x S    27.5695  -19.3679
            11  C8y C    28.3994  -18.2213
            12  C8x C    27.5654  -17.0776
            13  C8x C    26.2200  -17.5174
            14  C8y C    29.8199  -18.2191
            15  C8x C    30.6355  -19.3379
            16  C8x C    31.9517  -18.9079
            17  C8x C    31.9494  -17.5233
            18  S2x S    30.6319  -17.0976
BOND        19
            1     1   2 3
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 2
            7     6   8 1
            8     1   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 2
            12   12  13 1
            13    9  13 2
            14   11  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   14  18 1

» Japanese version

  All links  
Chemical substance (5)   
   PubChem (1)   
   ChEBI (1)   
   3DMET (1)   
   HMDB (1)   
   NIKKAJI (1)   
Chemical reaction (2)   
   KEGG ENZYME (1)   
   KEGG REACTION (1)   
All databases (7)   

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