COMPOUND: C18177
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Entry
C18177 Compound
Name
18R-HEPE;
18R-Hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid
Formula
C20H30O3
Exact mass
318.2195
Mol weight
318.4504
Structure
Mol file
KCF file
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Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA03 Eicosanoids
FA0307 Hydroxy/hydroperoxyeicosapentaenoic acids
C18177 18R-HEPE
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Other DBs
PubChem:
96024393
ChEBI:
81563
LIPIDMAPS:
LMFA03070025
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KCF data
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ATOM 23
1 C2b C 27.9346 -22.9513
2 C1b C 29.1249 -23.6516
3 C1b C 30.3154 -22.9513
4 C1b C 31.5759 -23.6516
5 C6a C 32.7663 -22.9513
6 O6a O 33.9568 -23.6516
7 O6a O 32.7663 -21.5508
8 C2b C 26.5340 -22.9513
9 C2b C 24.1531 -22.9513
10 C1b C 25.3435 -23.6516
11 C2b C 22.7526 -22.9513
12 C2b C 20.3016 -22.9513
13 C1b C 21.5621 -23.6516
14 C2b C 18.9011 -22.9513
15 C1b C 18.2009 -24.1418
16 C2b C 20.3016 -25.3322
17 C2b C 21.4920 -24.6320
18 C2b C 22.7526 -25.3322
19 C2b C 18.9011 -25.3322
20 C1c C 24.1531 -25.3322
21 C1b C 25.4135 -24.6320
22 C1a C 26.6040 -25.3322
23 O1a O 24.1531 -26.7328
BOND 22
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 2
8 9 10 1
9 10 8 1
10 9 11 2
11 12 13 1
12 13 11 1
13 12 14 2
14 14 15 1
15 16 17 1
16 17 18 2
17 16 19 2
18 18 20 1
19 20 21 1
20 21 22 1
21 20 23 1 #Up
22 19 15 1
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