KEGG   COMPOUND: C12154
Entry
C12154                      Compound                               
Name
Epothilone B;
Patupilone
Formula
C27H41NO6S
Exact mass
507.2655
Mol weight
507.6825
Structure
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
   C12154  Epothilone B
  PK14 Non-ribosomal peptide/polyketide hybrids
   C12154  Epothilone B
Other DBs
CAS: 152044-54-7
PubChem: 14301
ChEBI: 31550
LIPIDMAPS: LMPK04000041
KNApSAcK: C00044747 C00045299
PDB-CCD: EPB[PDBj]
3DMET: B04442
NIKKAJI: J1.358.973I
LinkDB
KCF data

ATOM        35
            1   C8y C    20.6049  -17.0386
            2   C8x C    20.6049  -15.6318
            3   C2b C    21.8160  -17.7387
            4   C2c C    23.0321  -17.0316
            5   C1y C    24.2480  -17.7387
            6   C1x C    25.4640  -17.0316
            7   C1y C    25.4623  -15.6249
            8   C1z C    26.6658  -14.9178
            9   C1x C    27.8819  -15.6177
            10  C1x C    29.1049  -14.9107
            11  C1x C    30.3138  -15.6106
            12  C1y C    30.3184  -17.0174
            13  C1y C    31.5400  -17.7205
            14  C1y C    31.5444  -19.1274
            15  C5x C    30.3272  -19.8312
            16  C1z C    29.1128  -19.1352
            17  C1y C    27.8886  -19.8391
            18  C1x C    26.6670  -19.1431
            19  C7x C    25.4570  -19.8467
            20  O7x O    24.2354  -19.1507
            21  O6a O    25.4615  -21.2535
            22  O1a O    32.7569  -17.0097
            23  O5x O    30.3318  -21.2380
            24  C1a C    32.7659  -19.8236
            25  C1a C    23.0321  -15.6249
            26  O1a O    27.8931  -21.2458
            27  C1a C    29.8994  -18.3961
            28  C1a C    28.0373  -18.4174
            29  C1a C    17.0297  -16.3387
            30  C8y C    18.4438  -16.3387
            31  N5x N    19.2665  -17.4713
            32  S2x S    19.2665  -15.1922
            33  C1a C    28.9494  -17.3710
            34  O2x O    25.4499  -14.2249
            35  C1a C    27.3518  -13.7018
BOND        37
            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    8  35 1 #Up
            37    5   4 1 #Down

» Japanese version

DBGET integrated database retrieval system