KEGG   COMPOUND: C17935
Entry
C17935                      Compound                               

Name
Cysteinyldopa;
5-S-Cysteinyl-DOPA
Formula
C12H16N2O6S
Exact mass
316.0729
Mol weight
316.3302
Structure
Reaction
Pathway
map00350  Tyrosine metabolism
Other DBs
CAS: 19641-92-0
PubChem: 96024156
ChEBI: 81392
NIKKAJI: J1.105.655E
LinkDB
KCF data

ATOM        21
            1   C8y C    23.8992  -18.7032
            2   C8y C    23.8992  -20.1093
            3   C8x C    25.0944  -18.0002
            4   O1a O    22.6338  -18.0002
            5   C8y C    25.0944  -20.8123
            6   O1a O    22.6338  -20.8123
            7   C8y C    26.2895  -18.7032
            8   C8x C    26.2895  -20.1093
            9   C1b C    27.5550  -18.0705
            10  C1c C    28.7501  -18.7032
            11  C6a C    29.9453  -18.0705
            12  N1a N    28.7501  -19.8993
            13  O6a O    31.2107  -18.7032
            14  O6a O    29.9453  -16.6644
            15  S2a S    25.0938  -22.1896
            16  C1b C    26.2806  -22.8756
            17  C1c C    27.4642  -22.1930
            18  C6a C    28.6567  -22.8825
            19  N1a N    27.4650  -21.0702
            20  O6a O    29.8462  -22.1966
            21  O6a O    28.6561  -24.2898
BOND        21
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     5   8 1
            8     7   9 1
            9     9  10 1
            10   10  11 1
            11   10  12 1 #Up
            12   11  13 1
            13   11  14 2
            14    7   8 2
            15    5  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   17  19 1 #Down
            20   18  20 1
            21   18  21 2

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