KEGG   COMPOUND: C14877
Entry
C14877                      Compound                               

Name
S-[2-(N7-Guanyl)ethyl]-N-acetyl-L-cysteine
Formula
C12H16N6O4S
Exact mass
340.0954
Mol weight
340.3582
Structure
Reaction
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
Other DBs
PubChem: 17395875
ChEBI: 34964
NIKKAJI: J2.789.643J
KCF data

ATOM        23
            1   N4y N    14.7700  -16.7300
            2   C1b C    15.9600  -16.0300
            3   C1b C    17.2200  -16.7300
            4   S2a S    18.4100  -16.0300
            5   C1b C    19.6000  -16.7300
            6   C1c C    20.8600  -16.0300
            7   C6a C    22.0500  -16.7300
            8   O6a O    23.2400  -16.0300
            9   N1b N    20.8600  -14.6300
            10  C5a C    22.0500  -13.9300
            11  C1a C    23.2400  -14.6300
            12  O5a O    22.0500  -12.5300
            13  O6a O    22.0500  -18.1300
            14  N4x N    10.9900  -17.1500
            15  C8y C    10.9900  -18.5500
            16  N5x N    12.1800  -19.2500
            17  C8y C    13.4400  -18.5500
            18  C8y C    13.4400  -17.1500
            19  C8y C    12.1800  -16.4500
            20  N5x N    14.7700  -18.9700
            21  C8x C    15.5400  -17.8500
            22  O5x O    12.1800  -15.0500
            23  N1a N     9.8000  -19.2500
BOND        24
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     6   9 1 #Down
            9     9  10 1
            10   10  11 1
            11   10  12 2
            12    7  13 2
            13   14  15 1
            14   15  16 2
            15   16  17 1
            16   17  18 2
            17   18  19 1
            18   14  19 1
            19   17  20 1
            20   20  21 2
            21   21   1 1
            22   18   1 1
            23   19  22 2
            24   15  23 1

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