KEGG   COMPOUND: C12381
Entry
C12381                      Compound                               

Name
Elloramycin A
Formula
C32H36O15
Exact mass
660.2054
Mol weight
660.6192
Structure
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00784  Elloramycin biosynthesis, 8-demethyltetracenomycin C => elloramycin A
Enzyme
2.1.1.-
Other DBs
CAS: 97218-42-3
PubChem: 582771
ChEBI: 78288
ChEMBL: CHEMBL1957887
KNApSAcK: C00017718
3DMET: B04466
NIKKAJI: J33.912A
LinkDB
KCF data

ATOM        47
            1   C1y C    37.1351  -21.5970
            2   C1y C    37.1351  -20.2164
            3   C1y C    38.3434  -19.5212
            4   C1y C    39.5325  -20.2164
            5   C1y C    39.5325  -21.5970
            6   O2x O    38.3434  -22.2826
            7   O2a O    35.9353  -22.2922
            8   O2a O    35.9415  -19.5264
            9   O2a O    38.3457  -18.1404
            10  O2a O    40.7273  -19.5285
            11  C1a C    40.7252  -22.2883
            12  C1a C    34.7487  -20.2175
            13  C1a C    39.5402  -17.4522
            14  C1a C    40.7305  -18.1479
            15  C8x C    31.1708  -22.2760
            16  C2y C    25.2037  -22.9588
            17  C1y C    26.4035  -22.2732
            18  C1z C    27.5937  -22.9588
            19  C5x C    28.7839  -22.2826
            20  C8y C    29.9837  -22.9682
            21  C2x C    25.1995  -24.5394
            22  C8y C    32.3548  -22.9778
            23  C8x C    33.5546  -22.2826
            24  C8y C    34.7451  -22.9778
            25  C5x C    26.3939  -25.2346
            26  C1z C    27.5841  -24.5490
            27  C5x C    28.7746  -25.2442
            28  C8y C    29.9744  -24.5586
            29  C8y C    31.1646  -25.2536
            30  C8y C    32.3454  -24.5680
            31  C8y C    33.5453  -25.2632
            32  C8y C    34.7451  -24.5680
            33  O5x O    26.3843  -26.6154
            34  O5x O    28.7650  -26.6248
            35  O1a O    31.1550  -26.6344
            36  C1a C    33.5357  -26.6344
            37  O2a O    24.0038  -22.2732
            38  C7a C    35.9396  -25.2561
            39  O7a O    37.1315  -24.5632
            40  O6a O    35.9424  -26.6367
            41  C1a C    22.8143  -22.9700
            42  O1a O    26.3939  -20.8924
            43  O2a O    27.5747  -25.9298
            44  O1a O    27.5841  -21.5780
            45  C1a C    27.5651  -27.3104
            46  O5x O    28.7746  -20.9020
            47  C1a C    38.3250  -25.2478
BOND        51
            1    23  24 2
            2     8  12 1
            3    21  25 1
            4     6   1 1
            5    25  26 1
            6     9  13 1
            7    26  27 1
            8    27  28 1
            9    10  14 1
            10   28  29 1
            11    1   7 1 #Up
            12   29  30 2
            13    1   2 1
            14   30  31 1
            15    2   8 1 #Down
            16   31  32 2
            17   16  17 1
            18   25  33 2
            19    2   3 1
            20   27  34 2
            21   17  18 1
            22   29  35 1
            23    3   9 1 #Down
            24   31  36 1
            25   18  19 1
            26   16  37 1
            27   18  26 1
            28   20  28 2
            29   22  30 1
            30   24  32 1
            31    3   4 1
            32   32  38 1
            33   19  20 1
            34   38  39 1
            35   20  15 1
            36   38  40 2
            37   24   7 1
            38    4  10 1 #Up
            39   37  41 1
            40   16  21 2
            41   17  42 1 #Up
            42    4   5 1
            43   26  43 1 #Up
            44   15  22 2
            45   18  44 1 #Up
            46    5  11 1 #Down
            47   43  45 1
            48   22  23 1
            49   19  46 2
            50    5   6 1
            51   39  47 1

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