COMPOUND: C05950
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Entry
C05950 Compound
Name
20-COOH-Leukotriene B4;
20-COOH-LTB4;
20-Carboxy-leukotriene B4;
5,12-Dihydroxy-Delta5,8,11,14-eicosapolyendioic acid
Formula
C20H30O6
Exact mass
366.2042
Mol weight
366.4486
Structure
Mol file
KCF file
DB search
Reaction
R04616
Pathway
map00590
Arachidonic acid metabolism
Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA03 Eicosanoids
FA0302 Leukotrienes
C05950 20-Carboxy-leukotriene B4
BRITE hierarchy
Other DBs
PubChem:
8234
ChEBI:
27562
LIPIDMAPS:
LMFA03020016
3DMET:
B01924
NIKKAJI:
J2.760.808F
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All DBs
KCF data
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ATOM 26
1 C1c C 26.3904 -22.1103
2 C1b C 27.5744 -22.7912
3 C2b C 25.2143 -22.8767
4 O1a O 26.3828 -20.7329
5 C1b C 28.7429 -22.0948
6 C2b C 23.8369 -22.8762
7 C1b C 29.9348 -22.7681
8 C2b C 22.6684 -22.1565
9 C6a C 31.1185 -22.0715
10 C2b C 21.4768 -22.8453
11 O6a O 32.2949 -22.7526
12 O6a O 31.1809 -20.7019
13 C2b C 20.3006 -22.1644
14 C2b C 19.1166 -22.8607
15 C1c C 17.9248 -22.1644
16 C1b C 16.7408 -22.8607
17 O1a O 17.9093 -20.7870
18 C2b C 16.7408 -25.0277
19 C2b C 17.9248 -25.7085
20 C1b C 19.1166 -25.0277
21 C1b C 20.3006 -25.7085
22 C1b C 21.4768 -25.0353
23 C1b C 22.6684 -25.7164
24 C6a C 23.8524 -25.0429
25 O6a O 25.0285 -25.7240
26 O6a O 23.8447 -23.6965
BOND 25
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 3 6 2
6 5 7 1
7 6 8 1
8 7 9 1
9 8 10 2
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 15 17 1 #Up
17 16 18 1
18 18 19 2
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 23 24 1
24 24 25 1
25 24 26 2
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