CodeZ41
Name(2S)-3-hydroxypropane-1,2-diyl dihexadecanoate
Synonyms
Identifier[(2S)-2-hexadecanoyloxy-3-oxidanyl-propyl] hexadecanoate
FormulaC35 H68 O5
Molecular Weight568.911
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC
PubChem644078
Formal Charge0
Total Atoms108
Total Chiral Atoms1
Total Bonds107
Total Aromatic Bonds0
Networks2
 missing image

This ligand is also present in the following 2 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
7T9N A Protein Glycoprotein hormone TSH Homo sapiens M22 Fab PubChem 644078 Gs/Beta1/Gamma2 2.9 2022-08-03 10.1038/s41586-022-05159-1

A 2D representation of the interactions of Z41 in 7T9N
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:D403 R:R:F405 9.55 0 No Yes 8 8 2 1
R:R:F405 R:R:K565 4.96 5 Yes No 8 7 1 2
R:R:F405 R:R:V566 3.93 5 Yes No 8 9 1 2
R:R:F405 R:R:M572 3.73 5 Yes No 8 9 1 1
R:R:F405 W:W:?1 6.31 5 Yes Yes 8 0 1 0
R:R:P407 R:R:V656 7.07 5 No Yes 9 7 2 1
R:R:M463 R:R:Y667 7.18 0 No Yes 9 9 2 1
R:R:L570 R:R:T501 4.42 5 Yes No 9 9 1 2
R:R:T501 R:R:Y667 4.99 5 No Yes 9 9 2 1
R:R:V502 R:R:Y563 6.31 5 Yes Yes 9 9 2 2
R:R:P571 R:R:V502 3.53 5 Yes Yes 9 9 1 2
R:R:E506 R:R:S505 5.75 0 No No 8 9 2 1
R:R:S505 R:R:Y667 6.36 5 No Yes 9 9 1 1
R:R:S505 W:W:?1 3.33 5 No Yes 9 0 1 0
R:R:P571 R:R:Y563 8.34 5 Yes Yes 9 9 1 2
R:R:M572 R:R:V566 6.09 5 No No 9 9 1 2
R:R:V566 R:R:V656 3.21 5 No Yes 9 7 2 1
R:R:I568 R:R:L570 5.71 0 No Yes 9 9 2 1
R:R:L570 R:R:P571 4.93 5 Yes Yes 9 9 1 1
R:R:L570 R:R:Y667 3.52 5 Yes Yes 9 9 1 1
R:R:L570 W:W:?1 4.1 5 Yes Yes 9 0 1 0
R:R:P571 W:W:?1 4.86 5 Yes Yes 9 0 1 0
R:R:M572 W:W:?1 10.46 5 No Yes 9 0 1 0
R:R:T574 W:W:?1 13.09 0 No Yes 6 0 1 0
R:R:A644 R:R:L587 3.15 0 No No 9 8 1 2
R:R:I640 R:R:P639 3.39 5 No No 9 9 1 2
R:R:I640 R:R:Y667 4.84 5 No Yes 9 9 1 1
R:R:I640 W:W:?1 6.34 5 No Yes 9 0 1 0
R:R:I654 R:R:Y643 12.09 0 No No 9 8 1 2
R:R:A644 W:W:?1 4.66 0 No Yes 9 0 1 0
R:R:A647 R:R:P652 3.74 5 No No 9 9 1 1
R:R:A647 W:W:?1 4.66 5 No Yes 9 0 1 0
R:R:P652 W:W:?1 3.64 5 No Yes 9 0 1 0
R:R:I654 R:R:N658 4.25 0 No No 9 8 1 2
R:R:I654 W:W:?1 3.17 0 No Yes 9 0 1 0
R:R:S659 R:R:V656 3.23 5 No Yes 9 7 1 1
R:R:V656 W:W:?1 3.31 5 Yes Yes 7 0 1 0
R:R:S659 W:W:?1 4.44 5 No Yes 9 0 1 0
R:R:P668 R:R:Y667 4.17 0 No Yes 9 9 2 1
R:R:Y667 W:W:?1 5.2 5 Yes Yes 9 0 1 0
R:R:L580 R:R:T574 2.95 0 No No 4 6 2 1
R:R:E404 W:W:?1 0.98 0 No Yes 7 0 1 0
StatisticsValue
Average Number Of Links15.00
Average Number Of Links With An Hub5.00
Average Interaction Strength5.24
Average Nodes In Shell32.00
Average Hubs In Shell8.00
Average Links In Shell42.00
Average Links Mediated by Hubs In Shell34.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
7UTZ A Protein Glycoprotein hormone TSH Homo sapiens TR1402 PubChem 644078 Gs/Beta1/Gamma2 2.4 2022-08-03 10.1038/s41586-022-05159-1

A 2D representation of the interactions of Z41 in 7UTZ
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:D403 R:R:F405 8.36 0 No Yes 8 8 2 1
R:R:E404 W:W:?1 5.88 0 No Yes 7 0 1 0
R:R:F405 R:R:K565 19.85 3 Yes No 8 7 1 2
R:R:F405 R:R:V566 5.24 3 Yes Yes 8 9 1 2
R:R:F405 R:R:M572 6.22 3 Yes No 8 9 1 1
R:R:F405 W:W:?1 15.32 3 Yes Yes 8 0 1 0
R:R:M463 R:R:T501 3.01 3 Yes Yes 9 9 2 2
R:R:M463 R:R:Y667 8.38 3 Yes Yes 9 9 2 1
R:R:L570 R:R:T501 4.42 0 Yes Yes 9 9 1 2
R:R:T501 R:R:Y667 6.24 3 Yes Yes 9 9 2 1
R:R:S505 R:R:Y667 7.63 0 No Yes 9 9 2 1
R:R:I568 R:R:V566 6.14 0 Yes Yes 9 9 2 2
R:R:M572 R:R:V566 9.13 3 No Yes 9 9 1 2
R:R:I568 R:R:L570 5.71 0 Yes Yes 9 9 2 1
R:R:I568 R:R:L663 5.71 0 Yes No 9 9 2 2
R:R:L570 R:R:P571 3.28 0 Yes Yes 9 9 1 2
R:R:L570 W:W:?1 5.12 0 Yes Yes 9 0 1 0
R:R:I583 R:R:P571 3.39 0 No Yes 7 9 2 2
R:R:M572 W:W:?1 8.37 3 No Yes 9 0 1 0
R:R:I583 R:R:T574 3.04 0 No No 7 6 2 1
R:R:T574 W:W:?1 9.81 0 No Yes 6 0 1 0
R:R:A644 R:R:L587 3.15 0 No No 9 8 1 2
R:R:I640 R:R:Y667 4.84 3 No Yes 9 9 1 1
R:R:I640 W:W:?1 3.17 3 No Yes 9 0 1 0
R:R:I654 R:R:Y643 9.67 3 Yes Yes 9 8 1 2
R:R:A644 W:W:?1 4.66 0 No Yes 9 0 1 0
R:R:A647 R:R:P652 3.74 3 No No 9 9 1 1
R:R:A647 W:W:?1 4.66 3 No Yes 9 0 1 0
R:R:I648 W:W:?1 5.28 0 No Yes 6 0 1 0
R:R:P652 W:W:?1 8.5 3 No Yes 9 0 1 0
R:R:I654 R:R:N658 5.66 3 Yes No 9 8 1 2
R:R:I654 R:R:S659 4.64 3 Yes No 9 9 1 1
R:R:I654 W:W:?1 3.17 3 Yes Yes 9 0 1 0
R:R:S659 W:W:?1 4.44 3 No Yes 9 0 1 0
R:R:L663 R:R:Y667 3.52 0 No Yes 9 9 2 1
R:R:Y667 W:W:?1 5.2 3 Yes Yes 9 0 1 0
R:R:K651 R:R:P652 1.67 0 No No 4 9 2 1
R:R:I648 R:R:V584 1.54 0 No No 6 5 1 2
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub4.00
Average Interaction Strength6.43
Average Nodes In Shell29.00
Average Hubs In Shell11.00
Average Links In Shell38.00
Average Links Mediated by Hubs In Shell33.00
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 Links14.00
Average Number Of Links With An Hub4.50
Average Interaction Strength5.83
Average Nodes In Shell30.50
Average Hubs In Shell9.50
Average Links In Shell40.00
Average Links Mediated by Hubs In Shell33.50

missing image


Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

missing image


Location of the nodes interacting with this ligand

(Click to enlarge 🔍)