Entry |
|
Name |
|
Formula |
C20H30O4
|
Exact mass |
334.2144
|
Mol weight |
334.45
|
Structure |
|
Reaction |
|
Pathway |
|
Brite |
Compounds with biological roles [BR:br08001]
Lipids
Eicosanoids
Prostaglandins
C05954 Prostaglandin B2
Lipids [BR:br08002]
FA Fatty acyls
FA03 Eicosanoids
FA0301 Prostaglandins
C05954 Prostaglandin B2
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 24
1 C2y C 21.8555 -15.0031
2 C2y C 21.8728 -16.4037
3 C5x C 20.5481 -14.5187
4 C1b C 22.9528 -13.8591
5 C1x C 20.4488 -16.7656
6 C2b C 23.0052 -17.0808
7 C1x C 19.6842 -15.6041
8 O5x O 20.1803 -13.1587
9 C2b C 24.1609 -14.5361
10 C2b C 24.2835 -16.3572
11 C2b C 25.5441 -14.5361
12 C1c C 25.4099 -17.0691
13 C1b C 26.7463 -13.8300
14 C1b C 26.6180 -16.3746
15 O1a O 25.4040 -18.4699
16 C1b C 27.9545 -14.5187
17 C1b C 27.8262 -17.0576
18 C1b C 29.1569 -13.8183
19 C1b C 29.0284 -16.3689
20 C6a C 30.3591 -14.5070
21 C1b C 30.2308 -17.0516
22 O6a O 31.5616 -13.8007
23 O6a O 30.3708 -15.8959
24 C1a C 31.4331 -16.3629
BOND 24
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 1
9 6 10 2
10 9 11 2
11 10 12 1
12 11 13 1
13 12 14 1
14 12 15 1 #Down
15 13 16 1
16 14 17 1
17 16 18 1
18 17 19 1
19 18 20 1
20 19 21 1
21 20 22 1
22 20 23 2
23 21 24 1
24 5 7 1
|