KEGG   COMPOUND: C12153
Entry
C12153                      Compound                               
Name
Epothilone A
Formula
C26H39NO6S
Exact mass
493.2498
Mol weight
493.656
Structure
Sequence
0 Mao  1 Cys  2 Mtk  3 Mad  4 Mae  5 Mae  6 Mtk  7 Mtn  8 Isk
9 Man
  Gene
0 epoA [UP:Q9KJ00]; 1 epoB [UP:Q9KIZ9]; 2 epoC [UP:Q9KIZ8];
3-6 epoD [UP:Q9KIZ7]; 7-8 epoE [UP:Q9KIZ6]; 9 epoF [UP:Q9KIZ5]
  Organism
Polyangium cellulosum (Sorangium cellulosum)
  Type
PKNRP
Pathway
map01052  Type I polyketide structures
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK04 Macrolides and lactone polyketides
   C12153  Epothilone A
  PK14 Non-ribosomal peptide/polyketide hybrids
   C12153  Epothilone A
Other DBs
CAS: 152044-53-6
PubChem: 14300
ChEBI: 31549
LIPIDMAPS: LMPK04000040
KNApSAcK: C00045298
PDB-CCD: EP[PDBj]
NIKKAJI: J1.408.121F
LinkDB
KCF data

ATOM        34
            1   C8y C    20.6189  -17.0849
            2   C8x C    20.6189  -15.6781
            3   C2b C    21.8300  -17.7850
            4   C2c C    23.0461  -17.0780
            5   C1y C    24.1920  -17.7850
            6   C1x C    25.4781  -17.0780
            7   C1y C    25.4764  -15.6712
            8   C1y C    26.6799  -14.9641
            9   C1x C    27.8959  -15.6641
            10  C1x C    29.1189  -14.9570
            11  C1x C    30.3279  -15.6569
            12  C1y C    30.3325  -17.0637
            13  C1y C    31.5541  -17.7668
            14  C1y C    31.5585  -19.1738
            15  C5x C    30.3413  -19.8776
            16  C1z C    29.1269  -19.1816
            17  C1y C    27.9027  -19.8854
            18  C1x C    26.6811  -19.1894
            19  C7x C    25.4711  -19.8930
            20  O7x O    24.2494  -19.1970
            21  O6a O    25.4755  -21.2998
            22  O1a O    32.7710  -17.0561
            23  O5x O    30.2759  -21.2844
            24  C1a C    32.7800  -19.8700
            25  C1a C    23.0461  -15.6712
            26  O1a O    27.9071  -21.2922
            27  C1a C    29.9135  -18.3725
            28  C1a C    28.0513  -18.4637
            29  C1a C    17.0437  -16.3850
            30  C8y C    18.4578  -16.3850
            31  N5x N    19.2805  -17.5176
            32  S2x S    19.2805  -15.2385
            33  C1a C    28.9635  -17.2773
            34  O2x O    25.4640  -14.2714
BOND        36
            1    18  19 1
            2     9  10 1
            3    19  20 1
            4     1   3 1
            5    19  21 2
            6    10  11 1
            7    13  22 1 #Down
            8     5   6 1
            9    15  23 2
            10   11  12 1
            11   14  24 1 #Up
            12    1   2 2
            13    4  25 1
            14   12  13 1
            15    6   7 1
            16   17  26 1 #Up
            17    5  20 1
            18   13  14 1
            19   16  27 1
            20    3   4 2
            21   16  28 1
            22   14  15 1
            23    7   8 1
            24   29  30 1
            25   15  16 1
            26   30  31 2
            27   32  30 1
            28    2  32 1
            29    1  31 1
            30   16  17 1
            31   12  33 1 #Up
            32    8   9 1
            33    7  34 1
            34    8  34 1
            35   17  18 1
            36    5   4 1 #Down

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