COMPOUND: C14812
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Entry
C14812 Compound
Name
12(R)-HPETE;
(5Z,8Z,10E,14Z)-(12R)-12-Hydroperoxyeicosa-5,8,10,14-tetraenoic acid;
(5Z,8Z,10E,14Z)-(12R)-12-Hydroperoxyicosa-5,8,10,14-tetraenoic acid
Formula
C20H32O4
Exact mass
336.2301
Mol weight
336.4657
Structure
Mol file
KCF file
DB search
Reaction
R07038
R13044
Pathway
map00590
Arachidonic acid metabolism
map01100
Metabolic pathways
map04726
Serotonergic synapse
Enzyme
1.13.11.-
4.2.1.152
Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA03 Eicosanoids
FA0306 Hydroxy/hydroperoxyeicosatetraenoic acids
C14812 12(R)-HPETE
BRITE hierarchy
Other DBs
PubChem:
17395810
ChEBI:
34145
LIPIDMAPS:
LMFA03060070
NIKKAJI:
J1.936.474G
LinkDB
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KCF data
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ATOM 24
1 C2b C 27.6262 -23.1930
2 C2b C 26.4590 -22.4925
3 C2b C 25.0115 -22.4925
4 C1b C 23.7974 -23.1930
5 C2b C 22.6302 -22.4925
6 C2b C 21.2294 -22.4925
7 C1b C 20.0154 -23.1930
8 C1b C 18.8014 -22.4925
9 C1b C 17.5874 -23.1930
10 C6a C 16.3733 -22.4925
11 O6a O 15.1593 -23.1930
12 O6a O 16.3733 -21.0917
13 C2b C 28.8869 -22.4925
14 C1c C 30.1010 -23.1930
15 C1b C 31.2682 -22.4925
16 C2b C 32.4823 -23.1930
17 C2b C 33.8831 -23.1930
18 C1b C 35.0971 -22.4925
19 C1b C 36.3110 -23.1930
20 C1b C 37.5251 -22.4925
21 O2a O 30.0543 -25.0138
22 O1a O 28.8403 -25.7141
23 C1b C 38.7391 -23.1930
24 C1a C 39.9530 -22.4925
BOND 23
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 2
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 10 12 2
12 1 13 2
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 2
17 17 18 1
18 18 19 1
19 19 20 1
20 14 21 1 #Up
21 21 22 1
22 20 23 1
23 23 24 1
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