Entry |
|
Name |
|
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 |
|
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 |
|
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
|