COMPOUND: C14823
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Entry
C14823 Compound
Name
8(S)-HPETE;
(5Z,9E,11Z,14Z)-(8S)-8-Hydroperoxyeicosa-5,9,11,14-tetraenoic acid;
(5Z,9E,11Z,14Z)-(8S)-8-Hydroperoxyicosa-5,9,11,14-tetraenoic acid
Formula
C20H32O4
Exact mass
336.2301
Mol weight
336.4657
Structure
Mol file
KCF file
DB search
Reaction
R07053
Pathway
map00590
Arachidonic acid metabolism
map01100
Metabolic pathways
map04726
Serotonergic synapse
Enzyme
1.13.11.-
Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA03 Eicosanoids
FA0306 Hydroxy/hydroperoxyeicosatetraenoic acids
C14823 8(S)-HPETE
BRITE hierarchy
Other DBs
PubChem:
17395821
ChEBI:
34487
LIPIDMAPS:
LMFA03060073
NIKKAJI:
J648.945A
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KCF data
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ATOM 24
1 C1c C 25.0368 -23.5388
2 C2b C 26.4067 -24.2254
3 C1b C 23.8458 -24.2272
4 C2b C 27.5975 -23.5406
5 C2b C 22.6618 -23.5388
6 C2b C 28.7885 -24.2254
7 C2b C 21.2852 -23.5388
8 C2b C 30.1584 -24.2254
9 C1b C 20.1079 -24.2272
10 C1b C 31.3491 -23.4033
11 C1b C 18.9101 -23.5388
12 C2b C 32.5332 -24.1568
13 C1b C 17.7191 -24.2272
14 C2b C 33.9100 -24.1568
15 C6a C 16.5352 -23.5388
16 C1b C 35.1008 -23.3346
17 O6a O 15.3444 -24.2272
18 O6a O 16.5352 -22.1687
19 C1b C 36.2849 -24.0881
20 C1b C 37.4759 -23.3346
21 C1b C 38.6598 -24.0881
22 C1a C 39.8508 -23.3346
23 O2a O 24.6846 -22.0881
24 O1a O 23.3733 -21.7039
BOND 23
1 1 2 1
2 1 3 1
3 2 4 2
4 3 5 1
5 4 6 1
6 5 7 2
7 6 8 2
8 7 9 1
9 8 10 1
10 9 11 1
11 10 12 1
12 11 13 1
13 12 14 2
14 13 15 1
15 14 16 1
16 15 17 1
17 15 18 2
18 16 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 1 23 1 #Down
23 23 24 1
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