COMPOUND: C14774
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Entry
C14774 Compound
Name
11,12-DHET;
(5Z,8Z,14Z)-11,12-Dihydroxyeicosa-5,8,14-trienoic acid;
(5Z,8Z,14Z)-11,12-Dihydroxyicosa-5,8,14-trienoic acid
Formula
C20H34O4
Exact mass
338.2457
Mol weight
338.48
Structure
Mol file
KCF file
DB search
Reaction
R07109
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
C14774 11,12-DHET
BRITE hierarchy
Other DBs
PubChem:
17395772
ChEBI:
63969
LIPIDMAPS:
LMFA03050008
NIKKAJI:
J1.455.638I
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KCF data
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ATOM 24
1 C2b C 22.3006 -14.1805
2 C2b C 21.0013 -14.1864
3 C1b C 23.4146 -14.8332
4 C1b C 19.8754 -14.8513
5 C1b C 24.5345 -14.1805
6 C2b C 18.7437 -14.1985
7 C1b C 25.6543 -14.8332
8 C2b C 17.4561 -14.2045
9 C6a C 26.7742 -14.1805
10 C1b C 16.3421 -16.0317
11 O6a O 27.9000 -14.8274
12 O6a O 26.7742 -12.8871
13 C1c C 17.3723 -17.9007
14 C1c C 18.6718 -17.8948
15 C1b C 19.7857 -17.2359
16 C2b C 20.9113 -17.8769
17 C2b C 22.1930 -17.8708
18 C1b C 23.3008 -17.2181
19 C1b C 24.4085 -17.8588
20 C1b C 25.5166 -17.2120
21 C1b C 26.6303 -17.8528
22 C1a C 27.7383 -17.2000
23 O1a O 16.6516 -19.3375
24 O1a O 19.0518 -19.4824
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 2
8 7 9 1
9 8 10 1
10 9 11 1
11 9 12 2
12 10 13 1
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 20 21 1
21 21 22 1
22 13 23 1
23 14 24 1
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