| Entry |
|
|---|
| Name |
Trisdecanoin (JAN/INN) |
|---|
| Formula |
C33H62O6
|
|---|
| Exact mass |
554.4546
|
|---|
| Mol weight |
554.84
|
|---|
| Structure |
|
|---|
| Efficacy |
Peroxisome proliferator-activated receptor (PPAR) agonist |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Thyroid hormone like receptors
Peroxisome proliferator-activated receptor (PPAR)
NR1C (PPAR)
D12614 Trisdecanoin (JAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 39
1 C7a C 29.4700 -14.4900
2 O7a O 28.2800 -15.1900
3 C1b C 27.1600 -14.4900
4 C1c C 26.1100 -15.1900
5 C1b C 24.9900 -14.4900
6 O7a O 23.8000 -15.1900
7 C7a C 22.6100 -14.4900
8 C1b C 21.3500 -15.1900
9 O7a O 26.1100 -16.5900
10 O6a O 29.4700 -13.2300
11 O6a O 22.6100 -13.2300
12 C1b C 20.2300 -14.4900
13 C1b C 18.7600 -15.1900
14 C7a C 27.1600 -17.3600
15 O6a O 27.1600 -18.6900
16 C1b C 28.3500 -16.5900
17 C1b C 29.6100 -17.3600
18 C1b C 30.8000 -16.5900
19 C1b C 31.9900 -17.3600
20 C1b C 33.2500 -16.5900
21 C1b C 34.5100 -17.3600
22 C1b C 35.7000 -16.5900
23 C1b C 36.9600 -17.3600
24 C1a C 38.1500 -16.5900
25 C1b C 30.6600 -15.1900
26 C1b C 31.9200 -14.4900
27 C1b C 33.1100 -15.1900
28 C1b C 34.3700 -14.4900
29 C1b C 35.6300 -15.1900
30 C1b C 36.8200 -14.4900
31 C1b C 38.0100 -15.1900
32 C1b C 39.2700 -14.4900
33 C1a C 40.4600 -15.1900
34 C1b C 17.5700 -14.4900
35 C1b C 16.3100 -15.1900
36 C1b C 15.1200 -14.4900
37 C1b C 13.8600 -15.1900
38 C1b C 12.6000 -14.4900
39 C1a C 11.4100 -15.1900
BOND 38
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 4 9 1
8 1 10 2
9 7 11 2
10 9 14 1
11 14 15 2
12 7 8 1
13 8 12 1
14 12 13 1
15 14 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 23 24 1
24 1 25 1
25 25 26 1
26 26 27 1
27 27 28 1
28 28 29 1
29 29 30 1
30 30 31 1
31 31 32 1
32 32 33 1
33 13 34 1
34 34 35 1
35 35 36 1
36 36 37 1
37 37 38 1
38 38 39 1
|
|---|
