COMPOUND: C14807
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Entry
C14807 Compound
Name
12-OxoETE;
12-KETE;
(5Z,8Z,10E,14Z)-12-Oxoeicosa-5,8,10,14-tetraenoic acid;
(5Z,8Z,10E,14Z)-12-Oxoicosa-5,8,10,14-tetraenoic acid
Formula
C20H30O3
Exact mass
318.2195
Mol weight
318.4504
Structure
Mol file
KCF file
DB search
Reaction
R13044
R13045
Pathway
map00590
Arachidonic acid metabolism
Enzyme
4.2.1.152
Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA03 Eicosanoids
FA0306 Hydroxy/hydroperoxyeicosatetraenoic acids
C14807 12-OxoETE
BRITE hierarchy
Other DBs
CAS:
108437-64-5
PubChem:
17395805
ChEBI:
34151
LIPIDMAPS:
LMFA03060019
NIKKAJI:
J1.453.622A
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KCF data
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ATOM 23
1 C2b C 21.1400 -16.1000
2 C2b C 21.1400 -18.4100
3 C2b C 22.3300 -19.1100
4 C2b C 23.5900 -18.4100
5 C1b C 22.3300 -15.4000
6 C5a C 24.7800 -19.1100
7 C1b C 25.9700 -18.4100
8 C2b C 23.5200 -16.1000
9 C2b C 24.9200 -16.1000
10 C1b C 26.1100 -15.4000
11 C1b C 27.3000 -16.1000
12 C1b C 28.4900 -15.4000
13 C6a C 29.6800 -16.1000
14 O6a O 30.8700 -15.4000
15 O6a O 29.7500 -17.5000
16 C2b C 27.1600 -19.1100
17 C2b C 28.5600 -19.1100
18 C1b C 29.7500 -18.4100
19 C1b C 30.9400 -19.1100
20 C1b C 32.1300 -18.4100
21 C1b C 33.3200 -19.1100
22 C1a C 34.5100 -18.4100
23 O5a O 24.7800 -20.5100
BOND 22
1 1 2 2
2 2 3 1
3 3 4 2
4 1 5 1
5 4 6 1
6 6 7 1
7 5 8 1
8 8 9 2
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 13 15 2
15 7 16 1
16 16 17 2
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 6 23 2
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