COMPOUND: C14821
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Entry
C14821 Compound
Name
9(S)-HPETE;
(5Z,7E,11Z,14Z)-(9S)-9-Hydroperoxyeicosa-5,7,11,14-tetraenoic acid;
(5Z,7E,11Z,14Z)-(9S)-9-Hydroperoxyicosa-5,7,11,14-tetraenoic acid
Formula
C20H32O4
Exact mass
336.2301
Mol weight
336.4657
Structure
Mol file
KCF file
DB search
Reaction
R07049
Pathway
map00590
Arachidonic acid metabolism
map04726
Serotonergic synapse
Enzyme
1.13.11.-
Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA03 Eicosanoids
FA0306 Hydroxy/hydroperoxyeicosatetraenoic acids
C14821 9(S)-HPETE
BRITE hierarchy
Other DBs
PubChem:
17395819
ChEBI:
34497
LIPIDMAPS:
LMFA03060072
NIKKAJI:
J1.057.873F
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KCF data
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ATOM 24
1 C2b C 25.0094 -23.7848
2 C1c C 26.3823 -23.7848
3 C2b C 23.8157 -24.4747
4 C1b C 27.5758 -24.4747
5 C2b C 22.6291 -23.7848
6 C2b C 28.7694 -23.7848
7 C2b C 21.2494 -23.7848
8 C2b C 30.1424 -23.7848
9 C1b C 20.0695 -24.4747
10 C1b C 31.3357 -24.4747
11 C1b C 18.8691 -23.7848
12 C2b C 32.5224 -23.7848
13 C1b C 17.6754 -24.4747
14 C2b C 33.9023 -23.7848
15 C6a C 16.4889 -23.7848
16 C1b C 35.0958 -24.4747
17 O6a O 15.2954 -24.4747
18 O6a O 16.4889 -22.4117
19 C1b C 36.2824 -23.7848
20 C1b C 37.4761 -24.4747
21 C1b C 38.6627 -23.7848
22 C1a C 39.8563 -24.4747
23 O2a O 26.7354 -21.9180
24 O1a O 28.0634 -21.4533
BOND 23
1 1 2 1
2 1 3 2
3 2 4 1
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 2 23 1 #Up
23 23 24 1
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