KEGG   COMPOUND: C11225
Entry
C11225                      Compound                               

Name
Herbimycin;
Herbimycin A
Formula
C30H42N2O9
Exact mass
574.289
Mol weight
574.6625
Structure
Sequence
0 Ahb  1 Mte  2 Mxk  3 Mtd  4 Mtk  5 Mxe  6 Mad  7 Mtn
  Gene
1-3 HbmAI [UP:Q49BE1]; 4-5 HbmAII [UP:Q49BE0]; 6-7 HbmAIII
[UP:Q49BD9]
  Organism
Streptomyces hygroscopicus
  Type
PK
Other DBs
CAS: 70563-58-5
PubChem: 13404
ChEBI: 5674
ChEMBL: CHEMBL1404366 CHEMBL480499
NIKKAJI: J126.235A
KCF data

ATOM        41
            1   C1y C    36.7960  -27.0802
            2   C1y C    36.8311  -29.1512
            3   C1x C    38.2534  -29.8417
            4   N1x N    41.4096  -27.0905
            5   C5x C    42.5613  -26.4207
            6   C2y C    43.7145  -27.1017
            7   C2x C    46.0585  -29.1931
            8   C2x C    46.0380  -27.1151
            9   C2x C    44.8764  -26.4317
            10  C1y C    44.8960  -29.8554
            11  C2y C    43.7113  -31.8477
            12  C1y C    44.8872  -31.1897
            13  C1y C    40.2800  -31.1400
            14  C1y C    41.4251  -31.8093
            15  C2x C    42.5843  -31.1467
            16  C1a C    43.6996  -33.1737
            17  O7a O    46.0384  -31.8563
            18  O2a O    43.5023  -29.8417
            19  C1a C    42.4425  -30.4826
            20  C1a C    43.6579  -28.3834
            21  C1y C    38.9445  -31.1308
            22  C1a C    35.6688  -29.8134
            23  C2y C    37.9506  -26.4109
            24  C5x C    39.1019  -27.0853
            25  C2y C    40.2538  -26.4320
            26  C2x C    40.2717  -25.0948
            27  C5x C    39.1273  -24.4204
            28  C2x C    37.9578  -25.0762
            29  O5x O    39.1136  -23.0859
            30  O5x O    39.1625  -28.4117
            31  O5x O    42.5515  -25.0865
            32  C7a C    47.2853  -31.1026
            33  O6a O    48.4547  -31.9339
            34  N1a N    47.3478  -29.6515
            35  O2a O    35.5815  -26.3941
            36  C1a C    34.3801  -27.1027
            37  O2a O    38.2894  -32.2721
            38  C1a C    38.9305  -33.4413
            39  O2a O    40.2900  -29.8160
            40  C1a C    41.4988  -29.1243
            41  C1a C    41.4184  -33.2041
BOND        42
            1    15  11 2
            2     3  21 1
            3    11  12 1
            4     2  22 1 #Down
            5    23  24 1
            6     1  23 1
            7     2   3 1
            8     4  25 1
            9     1   2 1
            10   13  14 1
            11   23  28 2
            12   24  25 1
            13   25  26 2
            14   26  27 1
            15   27  28 1
            16   14  15 1
            17   27  29 2
            18    6   9 2
            19   24  30 2
            20   11  16 1
            21    5  31 2
            22   10   7 1
            23   12  17 1 #Up
            24    7   8 2
            25   17  32 1
            26   10  18 1 #Up
            27   32  33 2
            28    8   9 1
            29   32  34 1
            30    1  35 1 #Up
            31   18  19 1
            32   35  36 1
            33    6  20 1
            34   21  37 1 #Up
            35    4   5 1
            36   37  38 1
            37    6   5 1
            38   13  39 1 #Down
            39   13  21 1
            40   39  40 1
            41   10  12 1
            42   14  41 1 #Down

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