KEGG   COMPOUND: C12039Help
Entry
C12039                      Compound                               

Name
Epothilone D;
Desoxyepothilone b
Formula
C27H41NO5S
Exact mass
491.2705
Mol weight
491.6831
Structure
Mol fileKCF fileDB search
Sequence
0 Mao  1 Cys  2 Mtk  3 Mad  4 Mte  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
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK04 Macrolides and lactone polyketides
   C12039  Epothilone D
BRITE hierarchy
Other DBs
CAS: 189453-10-9
PubChem: 14194
ChEBI: 29579
ChEMBL: CHEMBL96172
KNApSAcK: C00028253
PDB-CCD: EPD[PDBj]
NIKKAJI: J1.005.244K
LinkDB All DBs
KCF data Show

ATOM        34
            1   C8y C    20.5533  -17.2023
            2   C8x C    20.5533  -15.7955
            3   C2b C    21.7644  -17.9024
            4   C2c C    22.9805  -17.1953
            5   C1y C    24.1963  -17.9024
            6   C1x C    25.4124  -17.1953
            7   C2x C    25.4107  -15.7886
            8   C2y C    26.6142  -15.0815
            9   C1x C    27.8303  -15.7814
            10  C1x C    29.0533  -15.0744
            11  C1x C    30.2622  -15.7743
            12  C1y C    30.2668  -17.1811
            13  C1y C    31.4884  -17.8842
            14  C1y C    31.4929  -19.2911
            15  C5x C    30.2756  -19.9950
            16  C1z C    29.0613  -19.2989
            17  C1y C    27.8370  -20.0028
            18  C1x C    26.6154  -19.3068
            19  C7x C    25.4054  -20.0104
            20  O7x O    24.2538  -19.3144
            21  O6a O    25.4099  -21.4172
            22  O1a O    32.7053  -17.1734
            23  O5x O    30.2802  -21.4017
            24  C1a C    32.7143  -19.9873
            25  C1a C    22.9805  -15.7886
            26  C1a C    26.6098  -13.6746
            27  O1a O    27.8415  -21.4095
            28  C1a C    29.8478  -18.5598
            29  C1a C    27.9857  -18.5811
            30  C1a C    16.9781  -16.5024
            31  C8y C    18.3921  -16.5024
            32  N5x N    19.2149  -17.6350
            33  S2x S    19.2149  -15.3559
            34  C1a C    28.8979  -17.5347
BOND        35
            1    17  18 1
            2     5   4 1 #Down
            3    18  19 1
            4     9  10 1
            5    19  20 1
            6     1   3 1
            7    19  21 2
            8    10  11 1
            9    13  22 1 #Down
            10    5   6 1
            11   15  23 2
            12   11  12 1
            13   14  24 1 #Up
            14    1   2 2
            15    4  25 1
            16   12  13 1
            17    8  26 1
            18    6   7 1
            19   17  27 1 #Up
            20    5  20 1
            21   13  14 1
            22   16  28 1
            23    3   4 2
            24   16  29 1
            25   14  15 1
            26    7   8 2
            27   30  31 1
            28   15  16 1
            29   31  32 2
            30   33  31 1
            31    2  33 1
            32    1  32 1
            33   16  17 1
            34   12  34 1 #Up
            35    8   9 1

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