KEGG   COMPOUND: C11363
Entry
C11363                      Compound                               
Name
Sulfobromophthalein
Formula
C20H10Br4O10S2
Exact mass
789.6449
Mol weight
794.0334
Structure
Remark
Same as: D08548
Pathway
map04976  Bile secretion
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V04 DIAGNOSTIC AGENTS
   V04C OTHER DIAGNOSTIC AGENTS
    V04CE Tests for liver functional capacity
     V04CE02 Sulfobromophthalein
      D08548  Sulphobromophthalein (BAN)
Drug groups [BR:br08330]
 Transporter substrate
  DG02857  SLCO1A2 substrate
   DG01169  Sulfobromophthalein
    D08548  Sulphobromophthalein
  DG02856  SLCO1B1 substrate
   DG01169  Sulfobromophthalein
    D08548  Sulphobromophthalein
  DG02932  SLCO1B3 substrate
   DG01169  Sulfobromophthalein
    D08548  Sulphobromophthalein
  DG02933  SLCO2B1 substrate
   DG01169  Sulfobromophthalein
    D08548  Sulphobromophthalein
Drug metabolizing enzymes and transporters [br08309.html]
 Drug transporters
  D08548
Other DBs
CAS: 297-83-6
PubChem: 13538
ChEBI: 63836
PDB-CCD: BSP[PDBj]
NIKKAJI: J107.144K
KCF data

ATOM        36
            1   C8y C    10.7100  -21.1400
            2   C8y C    10.7100  -22.5400
            3   C8y C    11.9224  -23.2400
            4   C8y C    13.1349  -22.5400
            5   C8y C    13.1349  -21.1400
            6   C8y C    11.9224  -20.4400
            7   C7x C    14.4664  -22.9726
            8   O7x O    15.2893  -21.8400
            9   C1z C    14.4664  -20.7074
            10  X   Br   11.9224  -19.0402
            11  X   Br    9.4976  -20.4400
            12  X   Br    9.4976  -23.2400
            13  X   Br   11.9224  -24.6398
            14  C8y C    14.4664  -19.3074
            15  C8y C    15.8664  -20.7074
            16  O6a O    14.8975  -24.2994
            17  C8x C    15.6908  -18.6002
            18  C8y C    15.6906  -17.2002
            19  C8y C    14.4780  -16.5004
            20  C8x C    13.2536  -17.2076
            21  C8x C    13.2538  -18.6076
            22  C8x C    16.5775  -21.9396
            23  C8y C    17.9775  -21.9398
            24  C8y C    18.6777  -20.7275
            25  C8x C    17.9666  -19.4953
            26  C8x C    16.5666  -19.4951
            27  O1a O    14.4779  -15.1201
            28  S4a S    16.8864  -16.5097
            29  O1d O    18.0989  -15.8097
            30  O1d O    16.1868  -15.2980
            31  O1d O    17.5868  -17.7226
            32  O1a O    20.0900  -20.7278
            33  S4a S    18.6677  -23.1350
            34  O1d O    19.3677  -24.3475
            35  O1d O    19.8811  -22.4343
            36  O1d O    17.4574  -23.8339
BOND        39
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    6  10 1
            12    1  11 1
            13    2  12 1
            14    3  13 1
            15    9  14 1
            16    9  15 1
            17    7  16 2
            18   14  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   14  21 1
            24   15  22 2
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   15  26 1
            30   19  27 1
            31   18  28 1
            32   28  29 1
            33   28  30 2
            34   28  31 2
            35   24  32 1
            36   23  33 1
            37   33  34 1
            38   33  35 2
            39   33  36 2

» Japanese version

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Pathway (1)   
   KEGG PATHWAY (1)   
Drug (1)   
   KEGG DRUG (1)   
Chemical substance (4)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (6)   

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