COMPOUND: C14782
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Entry
C14782 Compound
Name
11,12,15-THETA;
11,12,15-Trihydroxyicosatrienoic acid;
(5Z,8Z,13E)-(15S)-11,12,15-Trihydroxyeicosa-5,8,12-trienoic acid;
(5Z,8Z,13E)-(15S)-11,12,15-Trihydroxyicosa-5,8,12-trienoic acid
Formula
C20H34O5
Exact mass
354.2406
Mol weight
354.481
Structure
Mol file
KCF file
DB search
Reaction
R07044
Pathway
map00590
Arachidonic acid metabolism
map01100
Metabolic pathways
Enzyme
1.14.14.1
Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA03 Eicosanoids
FA0305 Hydroxy/hydroperoxyeicosatrienoic acids
C14782 11,12,15-THETA
BRITE hierarchy
Other DBs
PubChem:
17395780
ChEBI:
34128
LIPIDMAPS:
LMFA03050017
NIKKAJI:
J2.323.051H
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All DBs
KCF data
Show
ATOM 25
1 C1c C 28.5887 -16.6780
2 C2b C 27.1821 -16.6780
3 C1b C 29.8126 -17.3812
4 O1a O 28.9545 -15.3344
5 C2b C 25.9724 -17.3812
6 C1b C 31.0154 -16.6780
7 C1c C 24.7555 -16.6780
8 C1b C 32.2321 -17.3812
9 C1c C 23.3558 -16.6780
10 C1b C 33.4491 -16.6780
11 C1b C 22.1389 -17.3812
12 C1a C 34.6588 -17.3812
13 C2b C 20.9292 -16.6780
14 C2b C 19.5226 -16.6780
15 C1b C 18.3056 -17.3812
16 C2b C 17.0959 -16.6780
17 C2b C 15.6893 -16.6780
18 C1b C 14.4936 -17.3812
19 C1b C 13.2626 -16.6780
20 C1b C 12.0459 -17.3812
21 C6a C 10.8362 -16.6780
22 O6a O 9.6192 -17.3812
23 O6a O 10.8362 -15.2784
24 O1a O 25.1239 -15.3029
25 O1a O 22.9902 -15.3154
BOND 24
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 2
5 3 6 1
6 5 7 1
7 6 8 1
8 7 9 1
9 8 10 1
10 9 11 1
11 10 12 1
12 11 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 21 23 2
23 7 24 1
24 9 25 1
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