| Entry |
|
|---|
| Name |
Thioinosine (JAN);
6-Mercaptopurine riboside (JAN) |
|---|
| Formula |
C10H12N4O4S
|
|---|
| Exact mass |
284.0579
|
|---|
| Mol weight |
284.2917
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG02018 Antimetabolite
DG01958 Nucleic acid derivative, antineoplastic
|
|---|
| Efficacy |
Antineoplastic, Antimetabolite |
|---|
| Interaction |
|
|---|
| Structure map |
| map07041 | Antineoplastics - antimetabolic agents |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG02018 Antimetabolite
DG01958 Nucleic acid derivative, antineoplastic
D01678 Thioinosine
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 19
1 C8y C 29.1421 -17.2715
2 N5x N 29.5056 -18.6328
3 C1y C 22.4494 -18.9749
4 C1y C 22.0787 -17.6064
5 C1b C 20.7082 -17.2431
6 O1a O 19.7085 -18.2484
7 O1a O 21.4496 -19.9801
8 C1y C 23.8639 -18.9759
9 C1y C 24.3032 -17.5633
10 O2x O 23.1583 -16.8020
11 C8y C 26.7900 -17.9058
12 N5x N 27.1535 -19.2671
13 C8x C 28.5141 -19.6330
14 C8y C 27.7871 -16.9104
15 C8x C 25.9840 -15.7121
16 N4y N 25.6159 -17.1371
17 N5x N 27.3863 -15.7135
18 O1a O 24.5591 -20.1937
19 S1a S 30.1397 -16.2734
BOND 21
1 3 4 1
2 11 12 1
3 12 13 2
4 13 2 1
5 1 14 1
6 14 11 2
7 4 5 1 #Up
8 5 6 1
9 15 16 1
10 16 11 1
11 14 17 1
12 17 15 2
13 9 16 1 #Up
14 3 7 1 #Down
15 8 18 1 #Down
16 1 2 2
17 8 9 1
18 9 10 1
19 10 4 1
20 3 8 1
21 1 19 1
|
|---|
