KEGG   COMPOUND: C12381Help
Entry
C12381                      Compound                               

Name
Elloramycin A
Formula
C32H36O15
Exact mass
660.2054
Mol weight
660.6192
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
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 All DBs
KCF data Show

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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