| Entry |
|
|---|
| Name |
Epothilone D;
Desoxyepothilone b
|
|---|
| Formula |
C27H41NO5S
|
|---|
| Exact mass |
491.2705
|
|---|
| Mol weight |
491.6831
|
|---|
| 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
C12039 Epothilone D
PK14 Non-ribosomal peptide/polyketide hybrids
C12039 Epothilone D
|
|---|
| Other DBs |
|
|---|
| KCF data |
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
|
|---|
