KEGG   COMPOUND: C12176Help
Entry
C12176                      Compound                               

Name
Proansamycin X
Formula
C35H47NO10
Exact mass
641.32
Mol weight
641.7484
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01051  Biosynthesis of ansamycins
map01130  Biosynthesis of antibiotics
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK05 Ansamycins and related polyketides
   C12176  Proansamycin X
BRITE hierarchy
Other DBs
CAS: 246255-43-6
PubChem: 14322
ChEBI: 71970
LIPIDMAPS: LMPK05000006
3DMET: B05610
NIKKAJI: J1.762.784H
KCF data Show

ATOM        46
            1   C2y C    32.8190  -23.9639
            2   C2y C    31.7952  -24.5501
            3   C2y C    32.8347  -22.7912
            4   C5x C    33.8204  -24.5656
            5   C2y C    30.7765  -23.8411
            6   C5a C    31.7952  -25.7279
            7   C5x C    33.8461  -22.2205
            8   C1y C    31.8262  -22.1431
            9   C2x C    34.8557  -23.9845
            10  O5x O    33.8100  -25.7434
            11  C1y C    30.8125  -22.6932
            12  O5a O    32.6219  -26.5670
            13  C2y C    34.8557  -22.8119
            14  O5x O    33.8616  -21.0374
            15  C1a C    30.7970  -21.5154
            16  C2c C    28.4939  -25.7183
            17  N1b N    35.8798  -22.2411
            18  C5a C    35.8901  -21.0685
            19  C2c C    36.9077  -20.5019
            20  O5a O    34.8815  -20.4772
            21  C2b C    36.9231  -19.3345
            22  C2b C    35.9262  -18.7327
            23  C1a C    37.9478  -21.1251
            24  C1a C    27.6283  -26.5675
            25  O1a O    29.7966  -24.4337
            26  O1a O    31.8161  -20.9036
            27  C2b C    35.9537  -17.5006
            28  C1c C    34.8925  -16.8560
            29  C1c C    33.8430  -17.5006
            30  C1c C    32.7876  -16.8798
            31  C1c C    31.7323  -17.5006
            32  C1c C    30.6769  -16.8798
            33  C1c C    29.6216  -17.5006
            34  C1c C    28.5662  -16.8798
            35  C1c C    27.4859  -17.4918
            36  C1c C    27.4759  -18.7335
            37  C2b C    28.5312  -19.3542
            38  O1a O    29.6114  -18.7423
            39  C1a C    34.8897  -15.6382
            40  C1a C    30.6769  -15.6382
            41  C1a C    32.7876  -15.6382
            42  O1a O    31.7323  -18.7423
            43  O1a O    33.8548  -18.7422
            44  O1a O    26.4382  -16.8754
            45  C1a C    26.3141  -19.3916
            46  C1a C    28.5777  -15.4701
BOND        48
            1     2   6 1
            2     3   7 1
            3     3   8 1
            4     4   9 1
            5     4  10 2
            6     5  11 1
            7     6  12 2
            8     7  13 1
            9     7  14 2
            10   11  15 1
            11   13  17 1
            12   17  18 1
            13   18  19 1
            14   18  20 2
            15   19  21 2
            16   21  22 1
            17    8  11 1
            18    9  13 2
            19   19  23 1
            20    1   2 1
            21    1   3 2
            22   16  24 1
            23    1   4 1
            24    5  25 1
            25   16   6 1
            26    2   5 2
            27    8  26 1
            28   22  27 2
            29   27  28 1
            30   28  29 1
            31   29  30 1
            32   30  31 1
            33   31  32 1
            34   32  33 1
            35   33  34 1
            36   34  35 1
            37   35  36 1
            38   36  37 1
            39   33  38 1 #Down
            40   28  39 1 #Up
            41   32  40 1 #Down
            42   30  41 1 #Down
            43   31  42 1 #Up
            44   29  43 1 #Down
            45   35  44 1 #Down
            46   37  16 2
            47   36  45 1 #Down
            48   34  46 1 #Up

» Japanese version

DBGET integrated database retrieval system