| Entry |
|
|---|
| Name |
Daunorubicin;
Daunomycin;
(+)-Daunomycin
|
|---|
| Formula |
C27H29NO10
|
|---|
| Exact mass |
527.1791
|
|---|
| Mol weight |
527.5199
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01057 | Biosynthesis of type II polyketide products |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK13 Aromatic polyketides
PK1305 Anthracyclinones
C01907 Daunorubicin
Secondary metabolites in pathway maps [br08011.html]
Biosynthetic pathways and modules of secondary metabolites
C01907
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
L01DB02 Daunorubicin
D07776 Daunorubicin (INN)
Drug groups [BR:br08330]
Antineoplastic
DG01682 Anthracycline antineoplastic
DG00697 Daunorubicin
D07776 Daunorubicin
DG01529 Topoisomerase inhibitor
DG01527 Topoisomerase II inhibitor
DG00697 Daunorubicin
D07776 Daunorubicin
Target-based classification of drugs [BR:br08310]
Enzymes
Isomerases (EC5)
DNA topoisomerase
TOP2
D07776 Daunorubicin (INN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 38
1 C8y C 25.2000 -13.7200
2 C8y C 25.2000 -15.1200
3 C8y C 24.0100 -13.0200
4 C1x C 26.3900 -13.0200
5 C1y C 26.4600 -15.8200
6 C8y C 24.0100 -15.8200
7 C8y C 22.8200 -13.7200
8 O1a O 24.0100 -11.6900
9 C1z C 27.7200 -13.6500
10 C1x C 27.7200 -15.1200
11 O2a O 26.5300 -17.5700
12 C8y C 22.8200 -15.1200
13 O1a O 24.0100 -17.1500
14 C5x C 21.6300 -13.0900
15 C1y C 28.2100 -18.4800
16 C5x C 21.6300 -15.8200
17 C8y C 20.4400 -13.7900
18 O5x O 21.6300 -11.6900
19 C1x C 28.2100 -19.8800
20 O2x O 29.4000 -17.8500
21 C8y C 20.4400 -15.1200
22 O5x O 21.6300 -17.1500
23 C8x C 19.2500 -13.0900
24 C1y C 29.4000 -20.5100
25 C1y C 30.5200 -18.4800
26 C8y C 19.2500 -15.8200
27 C8x C 18.0600 -13.7900
28 C1y C 30.5200 -19.8800
29 N1a N 29.4000 -21.9100
30 C1a C 31.7100 -17.8500
31 C8x C 18.0600 -15.1200
32 O2a O 19.2500 -17.1500
33 O1a O 31.7100 -20.5100
34 C1a C 18.0600 -17.8500
35 C5a C 28.9030 -12.9014
36 C1a C 30.1394 -13.5497
37 O5a O 28.9152 -11.4815
38 O1a O 28.9464 -14.3252
BOND 42
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1 #Down
11 6 12 1
12 6 13 1
13 7 14 1
14 15 11 1 #Down
15 12 16 1
16 14 17 1
17 14 18 2
18 15 19 1
19 15 20 1
20 16 21 1
21 16 22 2
22 17 23 2
23 19 24 1
24 20 25 1
25 21 26 2
26 23 27 1
27 24 28 1
28 24 29 1 #Up
29 25 30 1 #Up
30 26 31 1
31 26 32 1
32 28 33 1 #Up
33 32 34 1
34 7 12 2
35 9 10 1
36 17 21 1
37 25 28 1
38 27 31 2
39 9 35 1 #Up
40 35 36 1
41 35 37 2
42 9 38 1 #Down
|
|---|
