CodeTJR
Name[(2~{R})-2-oxidanyl-3-phosphonooxy-propyl] octadecanoate
Synonyms
Identifier[(2~{R})-2-oxidanyl-3-phosphonooxy-propyl] octadecanoate
FormulaC21 H43 O7 P
Molecular Weight438.536
SMILESCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O
PubChem9547179
Formal Charge0
Total Atoms72
Total Chiral Atoms1
Total Bonds71
Total Aromatic Bonds0
Networks1
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This ligand is also present in the following network:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8IZ4 A Orphan A orphans GPR34 Homo Sapiens Lysophosphatidylserine - Gi1/Beta1/Gamma2 2.94 2024-04-10 To be published

A 2D representation of the interactions of TJR in 8IZ4
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:F205 R:R:R110 13.9 2 Yes Yes 4 7 1 2
R:R:C127 R:R:C204 7.28 2 No No 9 9 2 2
R:R:C127 R:R:F205 4.19 2 No Yes 9 4 2 1
R:R:K128 R:R:R208 6.19 24 No Yes 8 5 2 1
R:R:F186 R:R:T132 6.49 0 Yes No 7 5 2 1
R:R:M189 R:R:T132 7.53 2 No No 4 5 1 1
L:L:?1 R:R:T132 5.6 2 Yes No 0 5 0 1
R:R:F134 R:R:Y135 9.28 2 Yes Yes 7 5 2 1
R:R:F134 R:R:L313 7.31 2 Yes Yes 7 5 2 2
R:R:Y135 R:R:Y282 5.96 2 Yes Yes 5 6 1 2
R:R:L313 R:R:Y135 7.03 2 Yes Yes 5 5 2 1
L:L:?1 R:R:Y135 8.91 2 Yes Yes 0 5 0 1
L:L:S2 R:R:Y135 7.63 2 Yes Yes 0 5 1 1
R:R:L223 R:R:Y139 4.69 0 No No 5 7 1 2
R:R:I143 R:R:M226 4.37 0 No No 5 5 2 1
L:L:?1 R:R:L181 4.21 2 Yes No 0 4 0 1
R:R:E216 R:R:M189 9.47 0 Yes No 3 4 2 1
L:L:?1 R:R:M189 6.45 2 Yes No 0 4 0 1
R:R:C204 R:R:F205 4.19 2 No Yes 9 4 2 1
L:L:?1 R:R:F205 3.7 2 Yes Yes 0 4 0 1
R:R:H206 R:R:R208 7.9 0 No Yes 5 5 2 1
R:R:K210 R:R:R208 4.95 0 Yes Yes 3 5 2 1
L:L:?1 R:R:R208 9.24 2 Yes Yes 0 5 0 1
R:R:E216 R:R:K210 14.85 0 Yes Yes 3 3 2 2
R:R:F219 R:R:L223 7.31 0 No No 5 5 2 1
R:R:N220 R:R:R286 10.85 2 No Yes 4 6 1 1
R:R:I290 R:R:N220 5.66 0 No No 5 4 2 1
L:L:?1 R:R:N220 11.48 2 Yes No 0 4 0 1
L:L:?1 R:R:L223 8.42 2 Yes No 0 5 0 1
R:R:R286 R:R:V224 3.92 2 Yes No 6 4 1 2
L:L:?1 R:R:M226 7.52 2 Yes No 0 5 0 1
R:R:R286 R:R:Y282 12.35 2 Yes Yes 6 6 1 2
R:R:N309 R:R:Y282 8.14 2 Yes Yes 5 6 2 2
R:R:L313 R:R:Y282 7.03 2 Yes Yes 5 6 2 2
R:R:R286 R:R:Y289 14.4 2 Yes Yes 6 4 1 2
R:R:N309 R:R:R286 7.23 2 Yes Yes 5 6 2 1
L:L:?1 R:R:R286 3.69 2 Yes Yes 0 6 0 1
L:L:S2 R:R:R286 3.95 2 Yes Yes 0 6 1 1
R:R:N309 R:R:Y289 13.96 2 Yes Yes 5 4 2 2
L:L:S2 R:R:Y289 3.82 2 Yes Yes 0 4 1 2
L:L:?1 L:L:S2 12.56 2 Yes Yes 0 0 0 1
L:L:?1 R:R:I222 3.26 2 Yes No 0 5 0 1
R:R:F205 R:R:G131 3.01 2 Yes No 4 6 1 2
R:R:I218 R:R:I222 1.47 0 No No 5 5 2 1
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub5.00
Average Interaction Strength7.09
Average Nodes In Shell33.00
Average Hubs In Shell15.00
Average Links In Shell44.00
Average Links Mediated by Hubs In Shell37.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub5.00
Average Interaction Strength7.09
Average Nodes In Shell33.00
Average Hubs In Shell15.00
Average Links In Shell44.00
Average Links Mediated by Hubs In Shell37.00

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Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

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Location of the nodes interacting with this ligand

(Click to enlarge 🔍)