COMPOUND: C12480


Entry
C12480                      Compound                               
Name
Coumermycin D
Formula
C43H49N3O18
Exact mass
895.3011
Mol weight
895.8585
Structure
Reaction
R06767 R06768
Pathway
map00401  Novobiocin biosynthesis
map01110  Biosynthesis of secondary metabolites
Brite
Glycosides [BR:br08021]
 O-glycosides
  Coumarin glycosides
   C12480  Coumermycin D
Other DBs
PubChem: 582870
ChEBI: 31434
3DMET: B04533
NIKKAJI: J1.844.293K
KCF data

ATOM        64
            1   C8y C    24.1058  -14.6469
            2   C8x C    24.5262  -13.3155
            3   N4x N    25.9277  -13.3155
            4   C8y C    26.3482  -14.6469
            5   C8y C    25.2270  -15.4878
            6   C5a C    27.5395  -15.3477
            7   N1b N    28.8008  -14.6469
            8   C8y C    29.9220  -15.3477
            9   C5a C    22.9145  -15.3477
            10  N1b N    21.6532  -14.6469
            11  C8y C    20.4619  -15.3477
            12  C1a C    25.2270  -16.8893
            13  O5a O    27.5395  -16.7492
            14  O5a O    22.9145  -16.7492
            15  C8y C    29.9220  -16.7492
            16  O7x O    31.1834  -17.4499
            17  C8y C    32.3746  -16.7492
            18  C8y C    32.3746  -15.3477
            19  C8y C    31.1834  -14.6469
            20  C8y C    19.2005  -14.6469
            21  C8y C    18.0793  -15.3477
            22  C8y C    18.0793  -16.7492
            23  O7x O    19.2706  -17.4499
            24  C8y C    20.4619  -16.7492
            25  C8x C    16.8881  -14.5769
            26  C8x C    15.6267  -15.2776
            27  C8y C    15.6267  -16.6791
            28  C8y C    16.8180  -17.3799
            29  C8y C    33.6360  -17.3799
            30  C8y C    34.8273  -16.6791
            31  C8x C    34.8273  -15.2776
            32  C8x C    33.4958  -14.5769
            33  O6a O    28.7307  -17.3799
            34  C1a C    33.6360  -18.8514
            35  O2a O    36.0185  -17.3098
            36  C1a C    16.8180  -18.8514
            37  O6a O    21.6532  -17.3799
            38  O2a O    14.3654  -17.3098
            39  O1a O    19.2005  -13.2454
            40  O1a O    31.1834  -13.2454
            41  C1y C    37.2057  -16.5650
            42  C1y C    13.1517  -18.0105
            43  O2x O    38.4366  -17.2165
            44  C1z C    39.6238  -16.4715
            45  C1y C    39.6422  -15.0710
            46  C1y C    38.3413  -14.4195
            47  C1y C    37.2242  -15.1644
            48  O1a O    35.8930  -14.4973
            49  O1a O    38.2902  -13.0358
            50  O2a O    40.7753  -14.3159
            51  C1a C    40.9776  -16.1088
            52  C1a C    40.6148  -17.4626
            53  O2x O    11.9549  -17.3194
            54  C1z C    10.7411  -18.0201
            55  C1y C    10.7409  -19.4216
            56  C1y C    11.9377  -20.1127
            57  C1y C    13.1515  -19.4120
            58  C1a C     9.5086  -17.1681
            59  C1a C     9.5168  -18.5867
            60  C1a C    42.0125  -14.9705
            61  O1a O    14.3820  -20.1228
            62  O1a O    11.9375  -21.5141
            63  O2a O     9.5168  -20.1282
            64  C1a C     8.3066  -19.7798
BOND        70
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     1   5 1
            6     4   6 1
            7     6   7 1
            8     7   8 1
            9     1   9 1
            10    9  10 1
            11   10  11 1
            12    5  12 1
            13    6  13 2
            14    9  14 2
            15    8  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20    8  19 2
            21   11  20 2
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   11  24 1
            27   21  25 2
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   22  28 2
            32   17  29 2
            33   29  30 1
            34   30  31 2
            35   31  32 1
            36   18  32 2
            37   15  33 2
            38   29  34 1
            39   30  35 1
            40   28  36 1
            41   24  37 2
            42   27  38 1
            43   20  39 1
            44   19  40 1
            45   41  35 1 #Up
            46   42  38 1 #Up
            47   41  43 1
            48   43  44 1
            49   44  45 1
            50   45  46 1
            51   46  47 1
            52   41  47 1
            53   47  48 1 #Down
            54   46  49 1 #Down
            55   45  50 1 #Up
            56   44  51 1
            57   44  52 1
            58   42  53 1
            59   53  54 1
            60   54  55 1
            61   55  56 1
            62   56  57 1
            63   42  57 1
            64   54  58 1
            65   54  59 1
            66   50  60 1
            67   57  61 1 #Down
            68   56  62 1 #Down
            69   55  63 1 #Up
            70   63  64 1

» Japanese version

  All links  
Pathway (2)   
   KEGG PATHWAY (2)   
Chemical substance (4)   
   PubChem (1)   
   ChEBI (1)   
   3DMET (1)   
   NIKKAJI (1)   
Chemical reaction (2)   
   KEGG REACTION (2)   
Gene (22)   
   KEGG GENES (22)   
All databases (30)   

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