COMPOUND: C18175
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Entry
C18175 Compound
Name
5,6-Epoxy-18R-HEPE;
5,6-Epoxy,18R-hydroxy-7E,9E,11Z,14Z,16E-eicosapentaenoic acid
Formula
C20H28O4
Exact mass
332.1988
Mol weight
332.4339
Structure
Mol file
KCF file
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Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA03 Eicosanoids
FA0307 Hydroxy/hydroperoxyeicosapentaenoic acids
C18175 5,6-Epoxy-18R-HEPE
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Other DBs
PubChem:
96024391
ChEBI:
81561
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KCF data
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ATOM 24
1 C2b C 17.8500 -8.4700
2 C1b C 17.1500 -9.6600
3 C2b C 17.8500 -10.8500
4 C2b C 19.2500 -10.8500
5 C2b C 20.5100 -10.1500
6 C2b C 21.7000 -10.8500
7 C1c C 23.1000 -10.8500
8 C1b C 24.2900 -10.1500
9 C1a C 25.4800 -10.8500
10 O1a O 23.1000 -12.2500
11 C1y C 26.7400 -7.7700
12 C1b C 27.9300 -8.4700
13 C1b C 29.1200 -7.7700
14 C1b C 30.3100 -8.4700
15 C6a C 31.5700 -7.7700
16 O6a O 32.7600 -8.4700
17 O6a O 31.5700 -6.3700
18 C1y C 25.3400 -7.7700
19 O2x O 26.0400 -6.4400
20 C2b C 19.2500 -8.4700
21 C2b C 20.5100 -7.7700
22 C2b C 21.7000 -8.4700
23 C2b C 22.8900 -7.7700
24 C2b C 24.1500 -8.4700
BOND 24
1 1 2 1
2 3 2 1
3 3 4 2
4 4 5 1
5 5 6 2
6 6 7 1
7 7 8 1
8 8 9 1
9 7 10 1 #Up
10 11 12 1
11 12 13 1
12 13 14 1
13 14 15 1
14 15 16 1
15 15 17 2
16 11 18 1
17 11 19 1
18 19 18 1
19 20 21 1
20 21 22 2
21 22 23 1
22 23 24 2
23 24 18 1
24 1 20 2
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