Code2Y5
Name(2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
SynonymsPhosphatidylinositol-4-phosphate; PI4P
Identifier[(2R)-1-octadecanoyloxy-3-[oxidanyl-[(2R,3S,5R,6R)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] icosa-5,8,11,14-tetraenoate
FormulaC47 H84 O16 P2
Molecular Weight967.108
SMILESCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC
PubChem
Formal Charge0
Total Atoms149
Total Chiral Atoms5
Total Bonds149
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
8T3O A Lipid Free fatty acid FFA4 Homo Sapiens TUG-891 2Y5 chim(NtGi2L-Gs-CtGq)/Beta1/Gamma2 3.06 2024-01-17  10.1126/sciadv.adj2384

A 2D representation of the interactions of 2Y5 in 8T3O
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:L86 R:R:N58 4.12 0 No Yes 7 9 1 2
R:R:V63 W:W:?1 3.59 0 No Yes 4 0 1 0
R:R:L79 W:W:?1 3.33 0 No Yes 5 0 1 0
R:R:N80 R:R:W163 6.78 0 No Yes 9 9 2 1
R:R:C83 R:R:W163 3.92 24 No Yes 5 9 1 1
R:R:C83 W:W:?1 7.65 24 No Yes 5 0 1 0
R:R:L86 W:W:?1 4.17 0 No Yes 7 0 1 0
R:R:L120 R:R:W163 5.69 0 No Yes 5 9 2 1
R:R:V124 R:R:W163 14.71 0 No Yes 7 9 2 1
R:R:W163 W:W:?1 4.11 24 Yes Yes 9 0 1 0
R:R:A66 W:W:?1 2.85 0 No Yes 1 0 1 0
StatisticsValue
Average Number Of Links6.00
Average Number Of Links With An Hub1.00
Average Interaction Strength4.28
Average Nodes In Shell11.00
Average Hubs In Shell3.00
Average Links In Shell11.00
Average Links Mediated by Hubs In Shell11.00
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 Links6.00
Average Number Of Links With An Hub1.00
Average Interaction Strength4.28
Average Nodes In Shell11.00
Average Hubs In Shell3.00
Average Links In Shell11.00
Average Links Mediated by Hubs In Shell11.00

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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 🔍)