KEGG   COMPOUND: C05571
Entry
C05571                      Compound                               
Name
Thiourocanic acid
Formula
C6H6N2O2S
Exact mass
170.015
Mol weight
170.189
Structure
Reaction
R04877
Pathway
map00340  Histidine metabolism
map01100  Metabolic pathways
Other DBs
PubChem: 7897
ChEBI: 9572
3DMET: B00791
NIKKAJI: J2.368.053J
LinkDB
KCF data

ATOM        11
            1   C8y C    12.3200  -21.0700
            2   C2b C    13.5324  -21.7700
            3   C2b C    14.7449  -21.0700
            4   C6a C    15.9573  -21.7700
            5   O6a O    17.1697  -21.0700
            6   O6a O    15.9573  -23.1700
            7   C8x C    12.1737  -19.6777
            8   N4x N    10.8042  -19.3866
            9   C8y C    10.1042  -20.5990
            10  N4x N    11.0410  -21.6394
            11  S0  S     8.6901  -20.7480
BOND        11
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     4   6 2
            6     1   7 2
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10    1  10 1
            11    9  11 2

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