KEGG   COMPOUND: C21338Help
Entry
C21338                      Compound                               

Name
Calicheamicin T0
Formula
C24H28N2O9S3
Exact mass
584.0957
Mol weight
584.6821
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: 319902577
PDB-CCD: C0T[PDBj]
LinkDB All DBs
KCF data Show

ATOM        38
            1   N1b N    31.7100  -12.5300
            2   C7a C    32.5500  -11.9000
            3   O7a O    33.6000  -12.5300
            4   C2y C    29.9600  -12.8100
            5   C1b C    24.6400  -13.7900
            6   C2b C    25.7600  -13.0200
            7   S3a S    23.5900  -13.0900
            8   C1z C    28.2800  -12.3900
            9   C1x C    29.0500  -11.6200
            10  C5x C    30.2400  -11.6200
            11  C2y C    27.0200  -13.0200
            12  C2y C    28.7000  -13.6500
            13  O5x O    31.2200  -10.7800
            14  O1a O    27.0200  -11.6900
            15  C0  C    30.2400  -13.3000
            16  C1y C    27.8600  -14.4900
            17  C0  C    29.0500  -14.8400
            18  C0  C    30.1700  -15.2600
            19  C2x C    31.5000  -15.6800
            20  C2x C    31.8500  -14.7700
            21  C0  C    31.0800  -13.8600
            22  S3a S    22.4700  -13.7900
            23  S3a S    21.4200  -13.0900
            24  C1a C    20.3000  -13.7900
            25  O2a O    27.8600  -15.9600
            26  C1y C    26.4600  -16.7300
            27  O6a O    32.5500  -10.5000
            28  C1a C    34.7200  -11.9000
            29  C1y C    24.0100  -16.7300
            30  C1y C    24.0100  -18.1300
            31  C1y C    25.2000  -18.8300
            32  C1y C    26.4600  -18.1300
            33  O2x O    25.2000  -16.0300
            34  O1a O    27.6500  -18.8300
            35  O1a O    25.2000  -20.2300
            36  N1b N    22.8200  -18.8300
            37  O1b O    21.6300  -18.1300
            38  C1a C    22.8200  -16.0300
BOND        40
            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   26  25 1 #Up
            22    8   9 1
            23   12  16 1
            24    2   3 1
            25   16  17 1
            26    9  10 1
            27    2  27 2
            28    3  28 1
            29   17  18 3
            30   29  30 1
            31   30  31 1
            32   31  32 1
            33   32  26 1
            34   29  33 1
            35   32  34 1 #Down
            36   31  35 1 #Up
            37   30  36 1 #Down
            38   36  37 1
            39   29  38 1 #Up
            40   33  26 1

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