| Entry |
|
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| Name |
|
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| Formula |
C42H53NO15
|
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| Exact mass |
811.3415
|
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| Mol weight |
811.87
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| Structure |
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| Remark |
|
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| Reaction |
|
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| Pathway |
| map01057 | Biosynthesis of type II polyketide products |
| map01110 | Biosynthesis of secondary metabolites |
|
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| Enzyme |
|
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK13 Aromatic polyketides
PK1305 Anthracyclinones
C18638 Aclacinomycin A
Secondary metabolites in pathway maps [br08011.html]
Biosynthetic pathways and modules of secondary metabolites
C18638
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01D CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
L01DB Anthracyclines and related substances
L01DB04 Aclarubicin
D02756 Aclarubicin (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG01682 Anthracycline antineoplastic
DG00699 Aclarubicin
D02756 Aclarubicin
DG01529 Topoisomerase inhibitor
DG00699 Aclarubicin
D02756 Aclarubicin
Target-based classification of drugs [BR:br08310]
Enzymes
Isomerases (EC5)
DNA topoisomerase
TOP1
D02756 Aclarubicin (USAN/INN)
TOP2
D02756 Aclarubicin (USAN/INN)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 58
1 C1y C 29.5320 -20.1718
2 C1y C 29.5320 -21.5529
3 C1y C 30.7059 -22.2435
4 C1x C 31.9489 -21.5529
5 C1y C 31.9489 -20.1718
6 O2x O 30.7059 -19.4812
7 C1a C 28.3580 -19.4812
8 O2a O 28.3580 -22.2435
9 N1c N 30.7059 -23.6246
10 C1a C 29.5320 -24.3151
11 C1a C 31.8798 -24.3151
12 O2a O 33.1228 -19.4812
13 C8x C 24.7671 -14.7164
14 C8x C 24.7671 -16.0975
15 C8y C 25.9411 -16.7881
16 C8y C 27.1841 -16.0975
17 C8y C 27.1841 -14.7164
18 C8x C 25.9411 -14.0259
19 C5x C 28.3580 -16.7881
20 C8y C 29.5320 -16.0975
21 C8y C 29.5320 -14.7164
22 C5x C 28.3580 -14.0259
23 C8y C 30.7750 -16.7881
24 C8y C 31.9489 -16.0975
25 C8y C 31.9489 -14.7164
26 C8x C 30.7750 -14.0259
27 C1y C 33.1228 -16.7881
28 C1x C 34.3658 -16.0975
29 C1z C 34.3658 -14.7164
30 C1y C 33.1228 -14.0259
31 O5x O 28.3580 -12.6448
32 O5x O 28.3580 -18.1692
33 O1a O 25.9411 -18.1692
34 O1a O 30.7750 -18.1692
35 C7a C 33.1228 -12.6448
36 O6a O 31.9489 -11.9542
37 O7a O 34.2968 -11.9542
38 C1a C 34.2968 -10.5731
39 O1a O 35.5398 -15.4070
40 C1b C 35.5398 -14.0259
41 C1a C 35.5398 -12.6448
42 C1y C 24.7671 -22.9340
43 C1y C 24.7671 -24.3151
44 C1y C 25.9411 -25.0057
45 C1x C 27.1841 -24.3151
46 C1y C 27.1841 -22.9340
47 O2x O 25.9411 -22.2435
48 C1a C 23.5932 -22.2435
49 O2a O 23.5932 -25.0057
50 O1a O 25.9411 -26.3868
51 C1y C 20.0023 -25.6962
52 C5x C 20.0023 -27.0773
53 C1x C 21.1763 -27.7679
54 C1x C 22.4193 -27.0773
55 C1y C 22.4193 -25.6962
56 O2x O 21.1763 -25.0057
57 C1a C 18.8284 -25.0057
58 O5x O 18.8284 -27.7679
BOND 64
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1 #Down
8 2 8 1 #Down
9 3 9 1 #Down
10 9 10 1
11 9 11 1
12 5 12 1 #Up
13 13 14 1
14 14 15 2
15 15 16 1
16 16 17 2
17 17 18 1
18 13 18 2
19 16 19 1
20 19 20 1
21 20 21 2
22 21 22 1
23 17 22 1
24 20 23 1
25 23 24 2
26 24 25 1
27 25 26 2
28 21 26 1
29 24 27 1
30 27 28 1
31 28 29 1
32 29 30 1
33 25 30 1
34 22 31 2
35 19 32 2
36 15 33 1
37 23 34 1
38 27 12 1 #Down
39 30 35 1 #Up
40 35 36 2
41 35 37 1
42 37 38 1
43 29 39 1 #Down
44 29 40 1 #Up
45 40 41 1
46 42 43 1
47 43 44 1
48 44 45 1
49 45 46 1
50 46 47 1
51 42 47 1
52 42 48 1 #Down
53 43 49 1 #Down
54 44 50 1 #Down
55 46 8 1 #Up
56 51 52 1
57 52 53 1
58 53 54 1
59 54 55 1
60 55 56 1
61 51 56 1
62 55 49 1 #Up
63 51 57 1 #Down
64 52 58 2
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