COMPOUND: C04707
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Entry
C04707 Compound
Name
(5Z,13E)-11alpha-Hydroxy-9,15-dioxoprost-5,13-dienoate;
15-Keto-prostaglandin E2
Formula
C20H30O5
Exact mass
350.2093
Mol weight
350.4492
Structure
Mol file
KCF file
DB search
Reaction
R02580
R04556
R04557
Pathway
map00590
Arachidonic acid metabolism
Enzyme
1.1.1.141
1.3.1.48
Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA03 Eicosanoids
FA0301 Prostaglandins
C04707 15-Keto-prostaglandin E2
BRITE hierarchy
Other DBs
CAS:
26441-05-4
PubChem:
7280
ChEBI:
15547
LIPIDMAPS:
LMFA03010030
NIKKAJI:
J346.055J
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All DBs
KCF data
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ATOM 25
1 C1y C 14.2807 -16.9282
2 C1y C 14.2807 -18.3306
3 C5x C 12.9428 -16.4973
4 C1b C 15.4837 -16.2272
5 C1y C 12.9428 -18.7615
6 C2b C 15.4900 -19.0316
7 C1x C 12.1259 -17.6423
8 O5x O 12.4990 -15.1723
9 C2b C 16.6994 -16.9219
10 O1a O 12.5119 -20.0931
11 C2b C 16.7057 -18.3306
12 C2b C 18.1016 -16.9219
13 C5a C 17.9151 -19.0316
14 C1b C 19.3173 -16.2272
15 C1b C 19.1244 -18.3306
16 O5a O 17.9151 -20.4275
17 C1b C 20.5266 -16.9219
18 C1b C 20.3401 -19.0316
19 C1b C 21.7294 -16.2207
20 C1b C 21.5494 -18.3306
21 C6a C 21.6788 -14.7992
22 C1b C 22.7651 -19.0316
23 O6a O 20.4824 -14.0723
24 O6a O 22.9074 -14.1301
25 C1a C 23.9745 -18.3306
BOND 25
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 3 8 2
8 4 9 1
9 5 10 1 #Down
10 6 11 2
11 9 12 2
12 11 13 1
13 12 14 1
14 13 15 1
15 13 16 2
16 14 17 1
17 15 18 1
18 17 19 1
19 18 20 1
20 19 21 1
21 20 22 1
22 21 23 1
23 21 24 2
24 22 25 1
25 5 7 1
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