KEGG   COMPOUND: C19930Help
Entry
C19930                      Compound                               

Name
tert-Butylbicyclophosphorothionate;
tert-Butylbicyclophosphorothioic acid;
TBPS
Formula
C8H15O3PS
Exact mass
222.048
Mol weight
222.2417
Structure
Mol fileKCF fileDB search
Brite
Target-based classification of compounds [BR:br08010]
 Ion channels
  Cys-loop superfamily
   GABA-A
    GABAA-receptor
     C19930  tert-Butylbicyclophosphorothionate     Antagonist
BRITE hierarchy
Other DBs
CAS: 70636-86-1
PubChem: 135626396
ChEMBL: CHEMBL485673
LinkDB All DBs
KCF data Show

ATOM        13
            1   C1x C    17.9900  -15.1900
            2   O2x O    17.9900  -16.5900
            3   P1a P    19.2024  -17.2900
            4   O2x O    20.4149  -16.5900
            5   C1x C    20.4149  -15.1900
            6   C1z C    19.2024  -14.4900
            7   C1x C    19.8448  -15.5623
            8   O2x O    18.7701  -15.8677
            9   C1d C    19.2024  -13.0900
            10  C1a C    20.3979  -12.3996
            11  C1a C    17.9732  -12.3803
            12  C1a C    19.2024  -11.6900
            13  S0  S    19.2024  -18.6900
BOND        14
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     6   7 1
            8     3   8 1
            9     8   7 1
            10    6   9 1
            11    9  10 1
            12    9  11 1
            13    9  12 1
            14    3  13 2

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