| Entry |
|
|---|
| Name |
3'-N-Debenzoyltaxol;
13-O-3-Phenylisoserinoyl baccatin III
|
|---|
| Formula |
C40H47NO13
|
|---|
| Exact mass |
749.3047
|
|---|
| Mol weight |
749.8001
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Enzyme |
1.14.-.- 2.3.1.-
|
|---|
| Brite |
Phytochemical compounds [BR:br08003]
Terpenoids
Diterpenoids (C20)
Taxanes
C16524 3'-N-Debenzoyltaxol
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 54
1 C1y C 27.9566 -9.8054
2 C1z C 29.0693 -10.4312
3 C1y C 27.1221 -10.6398
4 C1z C 27.9566 -8.4841
5 C1y C 30.1819 -9.8054
6 C1x C 30.1819 -11.1962
7 O7a O 29.0693 -11.8221
8 C1z C 24.6881 -10.6398
9 O7a O 27.1916 -12.9347
10 C5x C 26.2876 -7.4409
11 C1y C 29.0693 -7.8582
12 C1a C 28.0261 -6.4674
13 O2x O 31.2250 -10.5008
14 C1x C 30.1819 -8.4841
15 C7a C 30.2515 -12.5175
16 C1z C 24.6881 -9.3881
17 C1x C 23.5755 -11.2657
18 O1a O 24.6186 -11.8916
19 C7a C 26.0094 -13.5606
20 C1y C 23.5755 -7.4409
21 O5x O 26.2876 -6.0501
22 O1a O 29.0693 -6.7455
23 C1a C 31.4337 -11.8221
24 O6a O 30.2515 -13.9083
25 C2y C 23.5755 -8.6927
26 C1a C 25.5226 -8.3450
27 C1a C 25.6617 -9.8749
28 C1y C 22.4628 -10.6398
29 C8y C 26.0790 -14.8123
30 O6a O 24.9663 -12.8652
31 O7a O 22.4628 -6.8151
32 C2y C 22.4628 -9.3881
33 O7a O 21.0024 -11.4048
34 C7a C 22.4628 -5.4938
35 C1a C 21.3502 -8.6927
36 C7a C 19.8202 -10.7094
37 C1a C 23.5755 -4.8679
38 O6a O 21.3502 -4.8679
39 C1c C 18.6380 -11.4048
40 O6a O 19.8202 -9.3881
41 C1c C 17.5254 -10.7094
42 O1a O 18.6380 -12.7261
43 C8y C 16.3432 -11.4048
44 N1a N 17.5254 -9.3881
45 C8x C 15.2305 -10.7094
46 C8x C 16.3432 -12.7261
47 C8x C 14.0483 -11.4048
48 C8x C 15.2305 -13.4215
49 C8x C 14.0483 -12.7261
50 C8x C 24.8272 -15.5078
51 C8x C 24.8272 -16.8986
52 C8x C 26.0094 -17.5940
53 C8x C 27.2612 -16.8986
54 C8x C 27.2612 -15.5078
BOND 59
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1 #Up
6 2 7 1 #Down
7 3 8 1
8 3 9 1 #Down
9 4 10 1
10 4 11 1
11 4 12 1 #Up
12 5 13 1 #Up
13 5 14 1
14 7 15 1
15 8 16 1
16 8 17 1
17 8 18 1 #Up
18 9 19 1
19 10 20 1
20 10 21 2
21 11 22 1 #Up
22 15 23 1
23 15 24 2
24 16 25 1
25 16 26 1
26 16 27 1
27 17 28 1
28 19 29 1
29 19 30 2
30 20 31 1 #Up
31 25 32 2
32 28 33 1 #Down
33 31 34 1
34 32 35 1
35 33 36 1
36 34 37 1
37 34 38 2
38 36 39 1
39 36 40 2
40 39 41 1
41 39 42 1 #Down
42 41 43 1
43 41 44 1 #Down
44 43 45 2
45 43 46 1
46 45 47 1
47 46 48 2
48 47 49 2
49 6 13 1
50 11 14 1
51 20 25 1
52 28 32 1
53 48 49 1
54 29 50 2
55 50 51 1
56 51 52 2
57 52 53 1
58 53 54 2
59 29 54 1
|
|---|
