KEGG   COMPOUND: C12476Help
Entry
C12476                      Compound                               

Name
Decarbamoylnovobiocin
Formula
C30H35NO10
Exact mass
569.2261
Mol weight
569.5996
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00401  Novobiocin biosynthesis
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Enzyme
2.1.1.285       2.1.3.12
Other DBs
PubChem: 582866
ChEBI: 31467
3DMET: B04529
NIKKAJI: J2.783.701H
KCF data Show

ATOM        41
            1   C5a C    30.6485  -14.0297
            2   C8y C    31.8552  -14.7343
            3   O5a O    30.6485  -12.6329
            4   C8x C    31.8610  -16.1368
            5   C8x C    33.0633  -14.0354
            6   C8y C    33.0691  -16.8347
            7   C8x C    34.2758  -14.7285
            8   C8y C    34.2817  -16.1311
            9   C1b C    33.0691  -18.2302
            10  O1a O    35.4885  -16.8159
            11  C2b C    34.2817  -18.9351
            12  C2c C    34.2817  -20.3317
            13  C1a C    35.4885  -21.0294
            14  C1a C    33.0691  -21.0294
            15  N1b N    29.4208  -14.7393
            16  C8y C    25.4137  -12.7544
            17  C8y C    25.4137  -14.1333
            18  C8y C    24.2234  -12.0775
            19  O7x O    26.6100  -12.0601
            20  C8y C    26.6160  -14.8298
            21  C8x C    24.2234  -14.8356
            22  C8y C    23.0390  -12.7544
            23  C1a C    24.2176  -10.7159
            24  C8y C    27.8119  -12.7428
            25  C8y C    27.8236  -14.1391
            26  O1a O    26.6160  -16.1971
            27  C8x C    23.0390  -14.1333
            28  O2a O    21.8672  -12.0834
            29  O6a O    28.9977  -12.0659
            30  C1y C    20.6816  -12.7601
            31  C1y C    20.6816  -14.1391
            32  O2x O    19.4783  -12.0834
            33  C1y C    19.4783  -14.8415
            34  O1a O    21.7534  -15.1195
            35  C1z C    18.3069  -12.7601
            36  C1y C    18.3069  -14.1391
            37  O1a O    19.4783  -16.2088
            38  C1a C    17.4937  -11.3390
            39  C1a C    16.8915  -13.0373
            40  O2a O    17.1220  -14.8241
            41  C1a C    15.7314  -14.8298
BOND        44
            1    11  12 2
            2    12  13 1
            3    12  14 1
            4     7   8 2
            5     1  15 1
            6     1   2 1
            7     1   3 2
            8     2   4 1
            9     2   5 2
            10    4   6 2
            11    5   7 1
            12    6   8 1
            13    6   9 1
            14    8  10 1
            15    9  11 1
            16   16  17 2
            17   16  18 1
            18   16  19 1
            19   17  20 1
            20   17  21 1
            21   18  22 2
            22   18  23 1
            23   19  24 1
            24   20  25 2
            25   20  26 1
            26   21  27 2
            27   22  28 1
            28   24  29 2
            29   25  15 1
            30   30  28 1 #Up
            31   30  31 1
            32   30  32 1
            33   31  33 1
            34   31  34 1 #Down
            35   32  35 1
            36   33  36 1
            37   33  37 1 #Down
            38   35  38 1
            39   35  39 1
            40   36  40 1 #Up
            41   40  41 1
            42   22  27 1
            43   24  25 1
            44   35  36 1

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