KEGG   COMPOUND: C01959
Entry
C01959                      Compound                               

Name
Taurocyamine
Formula
C3H9N3O3S
Exact mass
167.0365
Mol weight
167.1869
Structure
Reaction
Pathway
map00430  Taurine and hypotaurine metabolism
Enzyme
2.1.4.1         2.7.3.4
Other DBs
CAS: 543-18-0
PubChem: 5060
ChEBI: 17228
ChEMBL: CHEMBL21832
PDB-CCD: 3S5[PDBj]
3DMET: B00373
NIKKAJI: J11.554A
LinkDB
KCF data

ATOM        10
            1   N1b N    14.7000  -19.7400
            2   C1b C    15.9124  -19.0400
            3   C1b C    17.1249  -19.7400
            4   S4a S    18.3373  -19.0400
            5   O1d O    19.5497  -19.7400
            6   O1d O    19.5373  -18.1201
            7   O1d O    17.0674  -18.1901
            8   C2c C    13.4876  -19.0400
            9   N1a N    12.2921  -19.7304
            10  N2a N    13.4875  -17.6402
BOND        9
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     4   6 2
            6     4   7 2
            7     1   8 1
            8     8   9 1
            9     8  10 2

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