| Entry |
|
|---|
| Name |
15-Deoxy-Delta12,14-PGJ2;
15-Deoxy-Delta12,14-prostaglandin J2;
15-Deoxy-PGJ2
|
|---|
| Formula |
C20H28O3
|
|---|
| Exact mass |
316.2038
|
|---|
| Mol weight |
316.43
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
|
|---|
| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA03 Eicosanoids
FA0301 Prostaglandins
C14717 15-Deoxy-delta-12,14-Prostaglandin J2
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 23
1 C2y C 23.1000 -25.5500
2 C1y C 23.1000 -24.1500
3 C5x C 21.7000 -25.9000
4 C2b C 24.2900 -26.2500
5 C2x C 21.8400 -23.6600
6 C1b C 24.2900 -23.0300
7 C2x C 20.9300 -24.7800
8 O5x O 21.2100 -27.2300
9 C2b C 25.4800 -25.5500
10 C2b C 25.5500 -23.6600
11 C2b C 26.9500 -23.5900
12 C1b C 28.1400 -22.9600
13 C1b C 29.3300 -23.5900
14 C1b C 30.5200 -22.8900
15 C6a C 31.7100 -23.5900
16 O6a O 32.9700 -22.8900
17 O6a O 31.7800 -24.9900
18 C2b C 26.7400 -26.2500
19 C1b C 27.9300 -25.5500
20 C1b C 29.1200 -26.2500
21 C1b C 30.3800 -25.5500
22 C1b C 31.5700 -26.2500
23 C1a C 32.7600 -25.5500
BOND 23
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 3 8 2
8 4 9 1
9 6 10 1
10 10 11 2
11 11 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 15 17 2
17 5 7 2
18 9 18 2
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 1
23 22 23 1
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|---|
