KEGG   COMPOUND: C12475Help
Entry
C12475                      Compound                               

Name
Demethyldecarbamoylnovobiocin
Formula
C29H33NO10
Exact mass
555.2104
Mol weight
555.573
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00401  Novobiocin biosynthesis
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Enzyme
2.1.1.285       2.4.1.302
Other DBs
PubChem: 582865
ChEBI: 31469
3DMET: B04528
NIKKAJI: J2.783.698D
KCF data Show

ATOM        40
            1   C5a C    30.0680  -13.9809
            2   C8y C    31.2754  -14.6859
            3   O5a O    30.0680  -12.5835
            4   C8x C    31.2811  -16.0888
            5   C8x C    32.4838  -13.9866
            6   C8y C    32.4895  -16.7869
            7   C8x C    33.6969  -14.6802
            8   C8y C    33.7028  -16.0831
            9   C1b C    32.4895  -18.1829
            10  O1a O    34.9099  -16.7683
            11  C2b C    33.7028  -18.8881
            12  C2c C    33.7028  -20.2855
            13  C1a C    34.9099  -20.9834
            14  C1a C    32.4895  -20.9834
            15  N1b N    28.8400  -14.6908
            16  O2a O    21.3047  -12.0482
            17  C1y C    20.1326  -12.7179
            18  C1y C    20.1326  -14.0906
            19  O2x O    18.9428  -12.0482
            20  C1y C    18.9428  -14.7933
            21  O1a O    21.2051  -15.0503
            22  C1z C    17.7780  -12.7179
            23  C1y C    17.7780  -14.0906
            24  O1a O    18.9428  -16.1540
            25  C1a C    16.9507  -11.3035
            26  C1a C    16.3693  -12.9952
            27  O1a O    16.4944  -14.9237
            28  C8y C    24.8455  -12.7122
            29  C8y C    24.8455  -14.0849
            30  C8y C    23.6476  -12.0423
            31  O7x O    26.0421  -12.0249
            32  C8y C    26.0480  -14.7816
            33  C8x C    23.6476  -14.7874
            34  C8y C    22.4697  -12.7122
            35  C1a C    23.6418  -10.6873
            36  C8y C    27.2375  -12.7005
            37  C8y C    27.2491  -14.0906
            38  O1a O    26.0480  -16.1424
            39  C8x C    22.4697  -14.0849
            40  O6a O    28.4098  -12.0307
BOND        43
            1     9  11 1
            2    11  12 2
            3    12  13 1
            4    12  14 1
            5     7   8 2
            6     1  15 1
            7     1   2 1
            8     1   3 2
            9     2   4 1
            10    2   5 2
            11    4   6 2
            12    5   7 1
            13    6   8 1
            14    6   9 1
            15    8  10 1
            16   17  18 1
            17   17  19 1
            18   18  20 1
            19   18  21 1 #Down
            20   19  22 1
            21   20  23 1
            22   20  24 1 #Down
            23   22  25 1
            24   22  26 1
            25   23  27 1 #Up
            26   22  23 1
            27   17  16 1 #Up
            28   28  29 2
            29   28  30 1
            30   28  31 1
            31   29  32 1
            32   29  33 1
            33   30  34 2
            34   30  35 1
            35   31  36 1
            36   32  37 2
            37   32  38 1
            38   33  39 2
            39   34  16 1
            40   36  40 2
            41   37  15 1
            42   34  39 1
            43   36  37 1

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