KEGG   COMPOUND: C21337Help
Entry
C21337                      Compound                               

Name
Calicheamicinone
Formula
C18H17NO5S3
Exact mass
423.0269
Mol weight
423.5263
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01059  Biosynthesis of enediyne antibiotics
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Module
M00833  Calicheamicin biosynthesis, calicheamicinone => calicheamicin
Enzyme
2.4.1.-
Other DBs
PubChem: 319902576
LinkDB All DBs
KCF data Show

ATOM        27
            1   N1b N    23.0050  -15.4386
            2   C7a C    23.8851  -14.7785
            3   O7a O    24.9853  -15.4386
            4   C2y C    21.1714  -15.7320
            5   C1b C    15.5972  -16.7588
            6   C2b C    16.7707  -15.9520
            7   S3a S    14.4970  -16.0254
            8   C1z C    19.4111  -15.2919
            9   C1x C    20.2179  -14.4852
            10  C5x C    21.4648  -14.4852
            11  C2y C    18.0909  -15.9520
            12  C2y C    19.8512  -16.6121
            13  O5x O    22.4916  -13.6050
            14  O1a O    18.0909  -14.5585
            15  C0  C    21.4648  -16.2454
            16  C1y C    18.9710  -17.4923
            17  C0  C    20.2179  -17.8590
            18  C0  C    21.3914  -18.2991
            19  C2x C    22.7849  -18.7391
            20  C2x C    23.1517  -17.7857
            21  C0  C    22.3449  -16.8322
            22  S3a S    13.3235  -16.7588
            23  S3a S    12.2234  -16.0254
            24  C1a C    11.0499  -16.7588
            25  O1a O    18.9710  -19.0325
            26  O6a O    23.8851  -13.3116
            27  C1a C    26.2321  -14.7052
BOND        28
            1    10   4 1
            2    18  19 1
            3     5   6 1
            4    19  20 2
            5     7  22 1
            6    22  23 1
            7    15  21 3
            8    23  24 1
            9    16  25 1 #Down
            10    8  11 1
            11   20  21 1
            12   11   6 2
            13   11  12 1
            14    1   2 1
            15    4  12 2
            16    5   7 1
            17   10  13 2
            18    4   1 1
            19    8  14 1 #Down
            20    8  15 1
            21    8   9 1
            22   12  16 1
            23    2   3 1
            24   16  17 1
            25    9  10 1
            26    2  26 2
            27   17  18 3
            28    3  27 1

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