COMPOUND: C14773
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Entry
C14773 Compound
Name
8,9-DHET;
(5Z,11Z,14Z)-8,9-Dihydroxyeicosa-5,11,14-trienoic acid;
(5Z,11Z,14Z)-8,9-Dihydroxyicosa-5,11,14-trienoic acid
Formula
C20H34O4
Exact mass
338.2457
Mol weight
338.4816
Structure
Mol file
KCF file
DB search
Reaction
R07110
Pathway
map00590
Arachidonic acid metabolism
map01100
Metabolic pathways
map04726
Serotonergic synapse
Enzyme
3.3.2.10
Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA03 Eicosanoids
FA0305 Hydroxy/hydroperoxyeicosatrienoic acids
C14773 8,9-DHET
BRITE hierarchy
Other DBs
PubChem:
17395771
ChEBI:
63970
LIPIDMAPS:
LMFA03050006
NIKKAJI:
J472.252C
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KCF data
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ATOM 24
1 C2b C 22.3536 -14.9876
2 C2b C 21.0262 -14.9937
3 C1b C 23.4917 -15.6544
4 C1b C 19.8760 -15.6729
5 C1b C 24.6358 -14.9876
6 C1c C 18.7198 -15.0060
7 C1b C 25.7798 -15.6544
8 C1c C 17.4044 -15.0122
9 C6a C 26.9239 -14.9876
10 C1b C 16.2663 -16.8788
11 O6a O 28.0740 -15.6485
12 O6a O 26.9239 -13.6663
13 C2b C 17.3188 -18.7883
14 C2b C 18.6463 -18.7822
15 C1b C 19.7843 -18.1091
16 C2b C 20.9343 -18.7639
17 C2b C 22.2437 -18.7577
18 C1b C 23.3754 -18.0909
19 C1b C 24.5071 -18.7454
20 C1b C 25.6391 -18.0847
21 C1b C 26.7769 -18.7393
22 C1a C 27.9088 -18.0724
23 O1a O 16.7084 -13.7803
24 O1a O 19.0835 -13.6364
BOND 23
1 1 2 2
2 1 3 1
3 2 4 1
4 3 5 1
5 4 6 1
6 5 7 1
7 6 8 1
8 7 9 1
9 8 10 1
10 9 11 1
11 9 12 2
12 10 13 1
13 13 14 2
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 20 21 1
21 21 22 1
22 8 23 1
23 6 24 1
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