COMPOUND: C18176
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Entry
C18176 Compound
Name
5S-Hydroperoxy-18R-HEPE;
5S-Hydroperoxy-18R-hydroxy-6E,8Z,11Z,14Z,16E-eicosapentaenoic acid
Formula
C20H30O5
Exact mass
350.2093
Mol weight
350.4492
Structure
Mol file
KCF file
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Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA03 Eicosanoids
FA0307 Hydroxy/hydroperoxyeicosapentaenoic acids
C18176 5S-Hydroperoxy-18R-HEPE
BRITE hierarchy
Other DBs
PubChem:
96024392
ChEBI:
81562
LIPIDMAPS:
LMFA03070034
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KCF data
Show
ATOM 25
1 C1c C 27.8952 -22.6262
2 C1b C 29.0869 -23.3272
3 C1b C 30.2787 -22.6262
4 C1b C 31.5406 -23.3272
5 C6a C 32.7323 -22.6262
6 O6a O 33.9241 -23.3272
7 O6a O 32.7323 -21.2241
8 O2a O 27.8952 -21.2241
9 C2b C 26.4931 -22.6262
10 C2b C 24.1096 -22.6262
11 C2b C 25.3013 -23.3272
12 C2b C 22.7075 -22.6262
13 C2b C 20.2539 -22.6262
14 C1b C 21.5157 -23.3272
15 C2b C 18.8518 -22.6262
16 C1b C 18.1508 -23.8180
17 C2b C 20.2539 -25.0097
18 C2b C 21.4456 -24.3087
19 C2b C 22.7075 -25.0097
20 C2b C 18.8518 -25.0097
21 C1c C 24.1096 -25.0097
22 C1b C 25.3714 -24.3087
23 C1a C 26.5632 -25.0097
24 O1a O 24.1096 -26.4118
25 O1a O 29.1398 -20.5054
BOND 24
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 5 7 2
7 1 8 1 #Up
8 1 9 1
9 10 11 1
10 11 9 2
11 10 12 2
12 13 14 1
13 14 12 1
14 13 15 2
15 15 16 1
16 17 18 1
17 18 19 2
18 17 20 2
19 19 21 1
20 21 22 1
21 22 23 1
22 21 24 1 #Up
23 20 16 1
24 8 25 1
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