KEGG   COMPOUND: C11591Help
Entry
C11591                      Compound                               

Name
DIDS;
4,4'-Diisothiocyanostilbene-2,2'-disulfonic acid
Formula
C16H10N2O6S4
Exact mass
453.9422
Mol weight
454.5204
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1309 Diphenyl ethers, biphenyls, dibenzyls and stilbenes
    C11591  DIDS
BRITE hierarchy
Other DBs
CAS: 
53005-05-3
PubChem: 
ChEBI: 
LIPIDMAPS: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        28
            1   C8y C    21.8400  -17.1500
            2   C8x C    20.6500  -17.8500
            3   C8y C    23.0300  -17.8500
            4   S4a S    21.8400  -15.8200
            5   C8y C    20.6500  -19.2500
            6   C8x C    23.0300  -19.2500
            7   O1d O    21.8400  -14.1400
            8   O1d O    20.4400  -15.8200
            9   O1d O    23.1700  -15.8200
            10  C8x C    21.8400  -19.8800
            11  N2b N    19.4600  -19.8800
            12  C0  C    18.2000  -19.1800
            13  S0  S    17.0100  -19.8800
            14  C2b C    24.2200  -17.2200
            15  C2b C    25.4800  -17.9200
            16  C8y C    27.8600  -17.9200
            17  C8x C    29.0500  -17.2200
            18  C8y C    26.6700  -17.2200
            19  S4a S    27.8600  -19.2500
            20  C8y C    29.0500  -15.8200
            21  C8x C    26.6700  -15.8200
            22  O1d O    27.8600  -20.9300
            23  O1d O    29.3300  -19.2500
            24  O1d O    26.5300  -19.2500
            25  C8x C    27.8600  -15.1200
            26  N2b N    30.2400  -15.1200
            27  C0  C    31.4300  -15.8200
            28  S0  S    32.6900  -15.1200
BOND        29
            1     3  14 1
            2     1   4 1
            3    14  15 2
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     4   8 2
            8     4   9 2
            9     5  10 2
            10    5  11 1
            11    6  10 1
            12   11  12 2
            13    1   2 2
            14   16  17 2
            15   16  18 1
            16   16  19 1
            17   17  20 1
            18   18  21 2
            19   19  22 1
            20   19  23 2
            21   19  24 2
            22   20  25 2
            23   20  26 1
            24   21  25 1
            25   12  13 2
            26   26  27 2
            27    1   3 1
            28   27  28 2
            29   18  15 1

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