| Entry |
|
|---|
| Name |
|
|---|
| Formula |
C47H51NO14
|
|---|
| Exact mass |
853.331
|
|---|
| Mol weight |
853.9061
|
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| Structure |
|
|---|
| Remark |
|
|---|
| Reaction |
R06320 R08171
|
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| Pathway |
| map00904 | Diterpenoid biosynthesis |
| map01062 | Biosynthesis of terpenoids and steroids |
| map01100 | Metabolic pathways |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Enzyme |
2.3.1.-
|
|---|
| Brite |
Lipids [BR:br08002]
PR Prenol lipids
PR01 Isoprenoids
PR0104 C20 isoprenoids (diterpenes)
PR010439 Taxane and Abeotaxane diterpenoids
C07394 Paclitaxel
Phytochemical compounds [BR:br08003]
Terpenoids
Diterpenoids (C20)
Taxanes
C07394 Paclitaxel
Natural toxins [BR:br08009]
Phytotoxins
Terpenoids
Diterpenoids
C07394 Paclitaxel
Secondary metabolites in pathway maps [br08011.html]
Biosynthetic pathways and modules of secondary metabolites
C07394
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01C PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
L01CD Taxanes
L01CD01 Paclitaxel
D00491 Paclitaxel (JAN/USP/INN) <JP/US>
USP drug classification [BR:br08302]
Antineoplastics
Antineoplastics, Other
Paclitaxel
D00491 Paclitaxel (JAN/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
4 Agents affecting cellular function
42 Antineoplastics
424 Plant extract preparations
4240 Plant extract preparations
D00491 Paclitaxel (JAN/USP/INN)
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG02918 CYP2C8 substrate
DG01430 Paclitaxel
D00491 Paclitaxel
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01430 Paclitaxel
D00491 Paclitaxel
Target-based classification of drugs [BR:br08310]
Not elsewhere classified
Cellular process
Cytoskeleton
TUBB
D00491 Paclitaxel (JAN/USP/INN) <JP/US>
New drug approvals in Europe [br08329.html]
European public assessment reports (EPAR) authorised medicine
D00491
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D00491
|
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| Other DBs |
| LIPIDMAPS: | LMPR0104390001 |
|
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| KCF data |
ATOM 62
1 C1y C 27.9885 -9.8660
2 C1z C 29.1081 -10.4957
3 C1y C 27.1489 -10.7056
4 C1z C 27.9885 -8.5365
5 C1y C 30.2276 -9.8660
6 C1x C 30.2276 -11.2654
7 O7a O 29.1081 -11.8951
8 C1z C 24.6999 -10.7056
9 O7a O 27.2189 -13.0147
10 C5x C 26.3092 -7.4869
11 C1y C 29.1081 -7.9068
12 C1a C 28.0585 -6.5073
13 O2x O 31.2772 -10.5657
14 C1x C 30.2276 -8.5365
15 C7a C 30.2976 -12.5948
16 C1z C 24.6999 -9.4461
17 C1x C 23.5803 -11.3354
18 O1a O 24.6299 -11.9651
19 C7a C 26.0293 -13.6444
20 C1y C 23.5803 -7.4869
21 O5x O 26.3092 -6.0875
22 O1a O 29.1081 -6.7872
23 C1a C 31.4871 -11.8951
24 O6a O 30.2976 -13.9943
25 C2y C 23.5803 -8.7464
26 C1a C 25.5395 -8.3966
27 C1a C 25.6795 -9.9359
28 C1y C 22.4608 -10.7056
29 C8y C 26.0993 -14.9039
30 O6a O 24.9798 -12.9447
31 O7a O 22.4608 -6.8572
32 C2y C 22.4608 -9.4461
33 O7a O 20.9914 -11.4753
34 C7a C 22.4608 -5.5277
35 C1a C 21.3413 -8.7464
36 C7a C 19.8019 -10.7756
37 C1a C 23.5803 -4.8980
38 O6a O 21.3413 -4.8980
39 C1c C 18.6124 -11.4753
40 O6a O 19.8019 -9.4461
41 C1c C 17.4928 -10.7756
42 O1a O 18.6124 -12.8048
43 C8y C 16.3033 -11.4753
44 N1b N 17.4928 -9.4461
45 C8x C 15.1838 -10.7756
46 C8x C 16.3033 -12.8048
47 C5a C 16.3033 -8.7464
48 C8x C 13.9943 -11.4753
49 C8x C 15.1838 -13.5045
50 C8y C 16.3033 -7.4170
51 O5a O 15.1838 -9.4461
52 C8x C 13.9943 -12.8048
53 C8x C 15.1838 -6.7872
54 C8x C 17.4928 -6.7872
55 C8x C 15.1838 -5.3878
56 C8x C 17.4928 -5.3878
57 C8x C 16.3033 -4.7581
58 C8x C 24.8398 -15.6036
59 C8x C 24.8398 -17.0030
60 C8x C 26.0293 -17.7028
61 C8x C 27.2888 -17.0030
62 C8x C 27.2888 -15.6036
BOND 68
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 44 47 1
47 45 48 1
48 46 49 2
49 47 50 1
50 47 51 2
51 48 52 2
52 50 53 1
53 50 54 2
54 53 55 2
55 54 56 1
56 55 57 1
57 6 13 1
58 11 14 1
59 20 25 1
60 28 32 1
61 49 52 1
62 56 57 2
63 29 58 2
64 58 59 1
65 59 60 2
66 60 61 1
67 61 62 2
68 29 62 1
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