CodeU3D
Name[(2R)-3-[(Z)-icos-11-enoyl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Synonyms[(2~{R})-2-[(~{Z})-octadec-9-enoyl]oxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] (~{Z})-icos-11-enoate
Identifier[(2~{R})-3-[(~{Z})-icos-11-enoyl]oxy-2-[(~{Z})-octadec-9-enoyl]oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate
FormulaC46 H88 N O8 P
Molecular Weight814.167
SMILESCCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
PubChem52923113
Formal Charge0
Total Atoms144
Total Chiral Atoms1
Total Bonds143
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
6WIV C Aminoacid GABAB GABAB1; GABAB2 Homo sapiens - PubChem 52923113; PubChem 52924645 - 3.3 2020-07-01 10.1038/s41586-020-2452-0

A 2D representation of the interactions of U3D in 6WIV
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
S:S:G527 S:S:S530 3.71 2 No Yes 5 6 2 2
S:S:G527 S:S:S732 3.71 2 No Yes 5 8 2 1
S:S:S530 S:S:Y531 3.82 2 Yes Yes 6 8 2 2
S:S:I728 S:S:S530 3.1 2 Yes Yes 8 6 1 2
S:S:S530 S:S:S732 3.26 2 Yes Yes 6 8 2 1
S:S:S732 S:S:Y531 10.17 2 Yes Yes 8 8 1 2
S:S:F537 S:S:I534 3.77 2 Yes Yes 5 8 2 2
S:S:I534 S:S:I728 5.89 2 Yes Yes 8 8 2 1
S:S:L536 S:S:R556 6.07 0 No Yes 6 7 2 1
S:S:F537 S:S:R556 5.34 2 Yes Yes 5 7 2 1
S:S:F537 S:S:V724 6.55 2 Yes No 5 4 2 1
S:S:F537 S:S:I728 2.51 2 Yes Yes 5 8 2 1
S:S:C648 S:S:R556 4.18 0 No Yes 9 7 2 1
S:S:R556 W:W:?902 16.02 0 Yes Yes 7 0 1 0
S:S:T557 W:W:?902 9.72 0 No Yes 4 0 1 0
S:S:F568 S:S:Y564 11.35 2 Yes Yes 8 9 2 1
S:S:K664 S:S:Y564 9.55 2 Yes Yes 9 9 1 1
S:S:M668 S:S:Y564 5.99 2 Yes Yes 8 9 2 1
S:S:V699 S:S:Y564 2.52 2 Yes Yes 9 9 2 1
S:S:C703 S:S:Y564 5.38 2 No Yes 7 9 1 1
S:S:Y564 W:W:?902 8.43 2 Yes Yes 9 0 1 0
S:S:D608 S:S:T565 8.67 2 Yes Yes 9 8 2 2
S:S:K664 S:S:T565 3 2 Yes Yes 9 8 1 2
S:S:A567 W:W:?902 3.78 0 No Yes 7 0 1 0
S:S:F568 S:S:M668 4.98 2 Yes Yes 8 8 2 2
S:S:F568 S:S:V699 5.24 2 Yes Yes 8 9 2 2
S:S:D608 S:S:Y663 6.9 2 Yes Yes 9 5 2 2
S:S:D608 S:S:K664 8.3 2 Yes Yes 9 9 2 1
S:S:H647 S:S:L645 10.29 2 No Yes 5 5 1 2
S:S:H647 S:S:R714 4.51 2 No No 5 3 1 1
S:S:H647 W:W:?902 5.4 2 No Yes 5 0 1 0
S:S:L657 S:S:Y661 18.76 0 No No 5 6 2 1
S:S:K664 S:S:V660 4.55 2 Yes No 9 5 1 2
S:S:A707 S:S:Y661 5.34 2 No No 6 6 1 1
S:S:Y661 W:W:?902 4.92 2 No Yes 6 0 1 0
S:S:K664 S:S:Y663 7.17 2 Yes Yes 9 5 1 2
S:S:K664 W:W:?902 5.92 2 Yes Yes 9 0 1 0
S:S:C703 S:S:M668 4.86 2 No Yes 7 8 1 2
S:S:I704 S:S:M668 2.92 0 No Yes 4 8 1 2
S:S:S695 S:S:T735 3.2 2 Yes Yes 8 8 2 1
S:S:T735 S:S:V699 3.17 0 Yes Yes 8 9 1 2
S:S:C703 W:W:?902 6.66 2 No Yes 7 0 1 0
S:S:I704 W:W:?902 2.57 0 No Yes 4 0 1 0
S:S:A707 W:W:?902 2.83 2 No Yes 6 0 1 0
S:S:S710 W:W:?902 4.5 0 No Yes 7 0 1 0
S:S:Q720 S:S:T713 2.83 2 No Yes 5 6 1 2
S:S:R714 W:W:?902 13.11 2 No Yes 3 0 1 0
S:S:Q720 S:S:V724 2.87 2 No No 5 4 1 1
S:S:Q720 W:W:?902 3.19 2 No Yes 5 0 1 0
S:S:V724 W:W:?902 2.68 2 No Yes 4 0 1 0
S:S:I728 W:W:?902 4.28 2 Yes Yes 8 0 1 0
S:S:S732 W:W:?902 2.7 2 Yes Yes 8 0 1 0
S:S:T735 W:W:?902 5.3 0 Yes Yes 8 0 1 0
S:S:F711 S:S:R714 2.14 0 No No 5 3 2 1
S:S:I734 S:S:T735 1.52 0 No Yes 4 8 2 1
StatisticsValue
Average Number Of Links17.00
Average Number Of Links With An Hub6.00
Average Interaction Strength6.00
Average Nodes In Shell38.00
Average Hubs In Shell20.00
Average Links In Shell55.00
Average Links Mediated by Hubs In Shell50.00
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 Links17.00
Average Number Of Links With An Hub6.00
Average Interaction Strength6.00
Average Nodes In Shell38.00
Average Hubs In Shell20.00
Average Links In Shell55.00
Average Links Mediated by Hubs In Shell50.00

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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 🔍)