| Entry |
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| Name |
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| Formula |
C27H29NO11
|
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| Exact mass |
543.1741
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| Mol weight |
543.52
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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 |
Compounds with biological roles [BR:br08001]
Antibiotics
Polyketides and nonribosomal peptides
Other polyketides
C01661 Adriamycin
Lipids [BR:br08002]
PK Polyketides
PK13 Aromatic polyketides
PK1305 Anthracyclinones
C01661 Adriamycin
Secondary metabolites in pathway maps [br08011.html]
Biosynthetic pathways and modules of secondary metabolites
C01661
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
L01DB01 Doxorubicin
D03899 Doxorubicin (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG01682 Anthracycline antineoplastic
DG00696 Doxorubicin
D03899 Doxorubicin
DG01529 Topoisomerase inhibitor
DG01527 Topoisomerase II inhibitor
DG00696 Doxorubicin
D03899 Doxorubicin
Target-based classification of drugs [BR:br08310]
Enzymes
Isomerases (EC5)
DNA topoisomerase
TOP2
D03899 Doxorubicin (USAN/INN)
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| Other DBs |
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| KCF data |
ATOM 39
1 C8x C 23.4525 -12.6014
2 C8x C 23.4525 -14.0018
3 C8y C 24.6429 -14.7020
4 C8y C 25.9033 -14.0018
5 C8y C 25.9033 -12.6014
6 C8x C 24.6429 -11.9012
7 C5x C 27.0936 -14.7020
8 C8y C 28.2840 -14.0018
9 C8y C 28.2840 -12.6014
10 C5x C 27.0936 -11.9012
11 C8y C 29.5443 -14.7020
12 C8y C 30.7347 -14.0018
13 C8y C 30.7347 -12.6014
14 C8y C 29.5443 -11.9012
15 C1y C 31.9250 -14.7020
16 C1x C 33.1854 -14.0018
17 C1z C 33.1854 -12.6014
18 C1x C 31.9250 -11.9012
19 O2a O 24.6429 -16.1024
20 C1a C 23.4525 -16.8026
21 O5x O 27.0936 -16.1024
22 O5x O 27.0936 -10.5008
23 O1a O 29.5443 -10.5008
24 O1a O 29.5443 -16.1024
25 O2a O 31.9250 -16.1024
26 C1y C 33.1154 -16.8026
27 C5a C 34.3758 -11.9012
28 C1b C 35.5661 -12.6014
29 O1a O 36.7565 -11.9012
30 O5a O 34.3758 -10.5008
31 O1a O 34.3758 -13.3016
32 C1x C 33.1154 -18.2030
33 C1y C 34.3758 -18.9032
34 C1y C 35.5661 -18.2030
35 C1y C 35.5661 -16.8026
36 O2x O 34.3758 -16.1024
37 N1a N 34.3930 -20.3035
38 C1a C 36.7818 -16.1073
39 O1a O 36.7818 -18.8983
BOND 43
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 8 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 9 14 2
17 12 15 1
18 15 16 1
19 16 17 1
20 17 18 1
21 13 18 1
22 3 19 1
23 19 20 1
24 7 21 2
25 10 22 2
26 14 23 1
27 11 24 1
28 26 25 1 #Down
29 15 25 1 #Down
30 17 27 1 #Up
31 27 28 1
32 28 29 1
33 27 30 2
34 17 31 1 #Down
35 26 32 1
36 32 33 1
37 33 34 1
38 34 35 1
39 35 36 1
40 26 36 1
41 33 37 1 #Up
42 35 38 1 #Up
43 34 39 1 #Up
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