COMPOUND: C18171
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Entry
C18171 Compound
Name
Resolvin E1;
5S,12R,18R-Trihydroxy-6Z,8E,10E,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
FA0314 Resolvin Es
C18171 Resolvin E1
BRITE hierarchy
Other DBs
PubChem:
96024387
ChEBI:
81559
LIPIDMAPS:
LMFA03140003
NIKKAJI:
J2.218.407E
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KCF data
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ATOM 25
1 C2b C 22.2600 -7.3500
2 C1c C 23.5200 -6.6500
3 C1b C 24.7100 -7.3500
4 C1b C 25.9000 -6.6500
5 C1b C 27.0900 -7.3500
6 C6a C 28.3500 -6.6500
7 O6a O 29.5400 -7.3500
8 O6a O 28.3500 -5.2500
9 O1a O 23.5200 -5.2500
10 C2b C 20.8600 -7.3500
11 C1b C 13.5800 -7.3500
12 C1c C 14.7700 -6.6500
13 C2b C 15.9600 -7.3500
14 C2b C 17.2200 -6.6500
15 C2b C 18.4100 -7.3500
16 C2b C 19.6000 -6.6500
17 O1a O 14.7700 -5.2500
18 C2b C 13.5800 -8.7500
19 C2b C 14.8400 -9.4500
20 C2b C 16.0300 -8.7500
21 C2b C 17.2200 -9.4500
22 C1c C 18.6200 -9.4500
23 C1b C 19.8100 -8.7500
24 C1a C 21.0700 -9.4500
25 O1a O 18.9700 -10.7800
BOND 24
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 6 8 2
8 2 9 1 #Up
9 1 10 2
10 11 12 1
11 12 13 1
12 13 14 2
13 14 15 1
14 15 16 2
15 16 10 1
16 12 17 1 #Up
17 18 19 2
18 19 20 1
19 20 21 2
20 18 11 1
21 21 22 1
22 22 23 1
23 23 24 1
24 22 25 1 #Up
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