KEGG   COMPOUND: C05571Help
Entry
C05571                      Compound                               

Name
Thiourocanic acid
Formula
C6H6N2O2S
Exact mass
170.015
Mol weight
170.189
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00340  Histidine metabolism
map01100  Metabolic pathways
Other DBs
PubChem: 7897
ChEBI: 9572
3DMET: B00791
NIKKAJI: J2.368.053J
LinkDB All DBs
KCF data Show

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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