KEGG   COMPOUND: C04486
Entry
C04486                      Compound                               
Name
5-(4-Hydroxybut-1-ynyl)-2,2'-bithiophene;
3-Butyn-1-ol, 4-(5-(2-thienyl)-2-thienyl)-
Formula
C12H10OS2
Exact mass
234.0173
Mol weight
234.34
Structure
Reaction
R04490
Enzyme
3.1.1.54
Other DBs
CAS: 1137-87-7
PubChem: 7105
ChEBI: 16887
NIKKAJI: J410.278I
LinkDB
KCF data

ATOM        15
            1   C3b C    24.9900  -19.9500
            2   C3b C    23.8000  -19.2500
            3   C1b C    22.6800  -19.9500
            4   C1b C    21.4900  -19.2500
            5   O1a O    20.3700  -19.9500
            6   C8y C    26.1800  -19.2500
            7   S2x S    27.5800  -19.6700
            8   C8y C    28.4200  -18.4800
            9   C8x C    27.5800  -17.2900
            10  C8x C    26.1800  -17.7800
            11  C8y C    29.8900  -18.4800
            12  C8x C    30.7300  -19.6700
            13  C8x C    32.0600  -19.1800
            14  C8x C    32.0600  -17.7800
            15  S2x S    30.7300  -17.3600
BOND        16
            1     1   2 3
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10    6  10 2
            11    8  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   11  15 1

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