KEGG   COMPOUND: C10595Help
Entry
C10595                      Compound                               

Name
Gliotoxin
Formula
C13H14N2O4S2
Exact mass
326.0395
Mol weight
326.3913
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Natural toxins [BR:br08009]
 Fungal toxins
  Mycotoxins
   Others
    C10595  Gliotoxin
BRITE hierarchy
Other DBs
CAS: 
67-99-2
PubChem: 
ChEBI: 
ChEMBL: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        21
            1   C1z C    28.6360  -18.3396
            2   N1y N    27.8073  -19.4774
            3   C1x C    27.8073  -17.1960
            4   C5x C    30.0364  -18.4855
            5   S3x S    28.6243  -19.7401
            6   C1y C    26.4653  -19.0458
            7   C5x C    28.3793  -20.7670
            8   C2y C    26.4653  -17.6336
            9   N1y N    30.6082  -19.7751
            10  O5x O    31.0341  -17.4761
            11  S3x S    29.7738  -19.5008
            12  C1y C    25.2459  -19.7460
            13  C1z C    29.7797  -20.9188
            14  O5x O    27.3697  -21.7590
            15  C2x C    25.2459  -16.9275
            16  C1a C    32.0146  -19.8393
            17  C2x C    24.0263  -19.0458
            18  O1a O    25.2342  -21.1581
            19  C1b C    30.4799  -22.1324
            20  C2x C    24.0263  -17.6336
            21  O1a O    31.8802  -22.1324
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    7  14 2
            14    8  15 2
            15    9  16 1
            16   12  17 1
            17   12  18 1 #Up
            18   13  19 1
            19   15  20 1
            20   19  21 1
            21    6   8 1
            22    9  13 1
            23   13  11 1 #Down
            24   17  20 2

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