CodePCW
Name(Z,Z)-4-Hydroxy-N,N,N-Trimethyl-10-Oxo-7-[(1-Oxo-9-Octadecenyl)Oxy]-3,5,9-Trioxa-4-Phosphaheptacos-18-En-1-Aminium-4-Oxide
Synonyms(Z,Z)-4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-7-[(1-OXO-9-OCTADECENYL)OXY]-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-18-EN-1-AMINIUM-4-OXIDE
Identifier2-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium
FormulaC44 H85 N O8 P
Molecular Weight787.121
SMILESCCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC
PubChem448653
Formal Charge1
Total Atoms139
Total Chiral Atoms2
Total Bonds138
Total Aromatic Bonds0
Networks3
 missing image

This ligand is also present in the following 3 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8SZG C Ion Calcium-sensing CaS Homo sapiens - Ca; Ca; Tryptophan; Cinacalcet; PO4; PCW chim(NtGi1-Gq)/Beta1/Gamma2 3.6 2024-02-07 10.1038/s41586-024-07055-2

A 2D representation of the interactions of PCW in 8SZG
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:A784 R:R:F815 4.16 0 No Yes 8 7 2 1
R:R:F788 R:R:T808 7.78 4 Yes Yes 8 9 1 1
R:R:F788 R:R:M811 4.98 4 Yes Yes 8 9 1 2
R:R:F788 R:R:L812 3.65 4 Yes No 8 9 1 1
R:R:F788 R:R:F815 4.29 4 Yes Yes 8 7 1 1
R:R:F788 W:W:?2 4 4 Yes Yes 8 0 1 0
R:R:A791 R:R:I807 4.87 4 No Yes 9 9 2 2
R:R:A791 R:R:T808 1.68 4 No Yes 9 9 2 1
R:R:F792 R:R:R795 7.48 4 No No 8 9 1 1
R:R:F792 W:W:?2 2.4 4 No Yes 8 0 1 0
R:R:K796 R:R:R795 7.43 0 No No 7 9 2 1
R:R:R795 W:W:?2 3.99 4 No Yes 9 0 1 0
R:R:N802 W:W:?2 2.7 0 No Yes 9 0 1 0
R:R:A804 W:W:?2 2.07 0 No Yes 9 0 1 0
R:R:K805 W:W:?2 7.4 0 No Yes 9 0 1 0
R:R:I807 R:R:T808 3.04 4 Yes Yes 9 9 2 1
R:R:T808 W:W:?2 11.61 4 Yes Yes 9 0 1 0
R:R:F809 S:S:F809 8.57 4 No Yes 9 9 1 1
R:R:F809 W:W:?2 2.4 4 No Yes 9 0 1 0
R:R:F814 R:R:M811 3.73 4 Yes Yes 9 9 2 2
R:R:L812 W:W:?2 4.54 4 No Yes 9 0 1 0
R:R:F814 R:R:F815 6.43 4 Yes Yes 9 7 2 1
R:R:F815 W:W:?2 3.2 4 Yes Yes 7 0 1 0
R:R:I816 S:S:I816 2.94 0 No No 8 8 1 2
R:R:I816 S:S:V817 3.07 0 No Yes 8 9 1 2
R:R:I816 W:W:?2 7.49 0 No Yes 8 0 1 0
R:R:I819 W:W:?2 4.68 0 No Yes 6 0 1 0
R:R:S820 S:S:S820 4.89 0 No No 7 7 1 2
R:R:S820 S:S:A824 1.71 0 No No 7 7 1 2
R:R:S820 W:W:?2 2.96 0 No Yes 7 0 1 0
S:S:F809 S:S:K805 7.44 4 Yes No 9 9 1 2
S:S:F809 S:S:T808 2.59 4 Yes No 9 9 1 2
S:S:F809 W:W:?2 5.59 4 Yes Yes 9 0 1 0
S:S:G847 S:S:I813 1.76 0 No No 8 8 1 2
S:S:A843 S:S:V817 3.39 0 No Yes 7 9 1 2
S:S:I839 W:W:?2 2.81 0 No Yes 7 0 1 0
S:S:A843 W:W:?2 3.1 0 No Yes 7 0 1 0
S:S:G847 W:W:?2 2.24 0 No Yes 8 0 1 0
R:R:E799 R:R:K805 1.35 0 No No 8 9 2 1
StatisticsValue
Average Number Of Links17.00
Average Number Of Links With An Hub4.00
Average Interaction Strength4.30
Average Nodes In Shell32.00
Average Hubs In Shell9.00
Average Links In Shell39.00
Average Links Mediated by Hubs In Shell32.00
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
8SZH C Ion Calcium-sensing CaS Homo sapiens - Ca; Ca; Tryptophan; Cinacalcet; PO4; PCW Gi1/Beta1/Gamma2 3.1 2024-02-07 10.1038/s41586-024-07055-2

A 2D representation of the interactions of PCW in 8SZH
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:A784 R:R:M811 1.61 0 No Yes 8 9 2 2
R:R:A784 R:R:F815 2.77 0 No Yes 8 7 2 1
R:R:F788 R:R:T808 3.89 3 Yes Yes 8 9 1 1
R:R:F788 R:R:M811 3.73 3 Yes Yes 8 9 1 2
R:R:F788 R:R:L812 2.44 3 Yes No 8 9 1 1
R:R:F788 R:R:F815 3.22 3 Yes Yes 8 7 1 1
R:R:F788 W:W:?2 4 3 Yes Yes 8 0 1 0
R:R:F789 R:R:F792 2.14 0 No No 4 8 2 1
R:R:A791 R:R:T808 1.68 0 No Yes 9 9 2 1
R:R:F792 R:R:R795 11.76 3 No No 8 9 1 1
R:R:F792 W:W:?2 4.79 3 No Yes 8 0 1 0
R:R:A804 R:R:S794 1.71 3 No No 9 9 1 2
R:R:K796 R:R:R795 2.48 0 No No 7 9 2 1
R:R:R795 W:W:?2 3.19 3 No Yes 9 0 1 0
R:R:A804 R:R:N802 1.56 3 No No 9 9 1 1
R:R:N802 W:W:?2 1.8 3 No Yes 9 0 1 0
R:R:A804 W:W:?2 3.1 3 No Yes 9 0 1 0
R:R:F806 R:R:K805 6.2 0 No No 5 9 2 1
R:R:K805 S:S:F809 3.72 3 No Yes 9 9 1 1
R:R:K805 W:W:?2 6.48 3 No Yes 9 0 1 0
R:R:F809 R:R:T808 3.89 3 Yes Yes 9 9 1 1
R:R:T808 W:W:?2 4.84 3 Yes Yes 9 0 1 0
R:R:F809 S:S:F809 8.57 3 Yes Yes 9 9 1 1
R:R:F809 S:S:L812 2.44 3 Yes No 9 9 1 2
R:R:F809 W:W:?2 2.4 3 Yes Yes 9 0 1 0
R:R:L812 W:W:?2 2.72 3 No Yes 9 0 1 0
R:R:F814 R:R:F815 6.43 3 Yes Yes 9 7 2 1
R:R:F815 W:W:?2 1.6 3 Yes Yes 7 0 1 0
R:R:I816 S:S:I816 2.94 0 Yes No 8 8 1 2
R:R:I816 S:S:V817 3.07 0 Yes Yes 8 9 1 2
R:R:I816 S:S:S820 3.1 0 Yes No 8 7 1 2
R:R:I816 W:W:?2 5.62 0 Yes Yes 8 0 1 0
R:R:I819 W:W:?2 9.36 0 No Yes 6 0 1 0
S:S:K805 S:S:N802 4.2 3 No No 9 9 1 2
S:S:F809 S:S:K805 7.44 3 Yes No 9 9 1 1
S:S:K805 W:W:?2 3.7 3 No Yes 9 0 1 0
S:S:F806 S:S:F809 2.14 0 No Yes 5 9 2 1
S:S:F809 W:W:?2 10.39 3 Yes Yes 9 0 1 0
S:S:C851 S:S:S810 1.72 3 No No 8 9 1 2
S:S:I813 S:S:V817 1.54 3 No Yes 8 9 1 2
S:S:C851 S:S:I813 1.64 3 No No 8 8 1 1
S:S:I813 W:W:?2 1.87 3 No Yes 8 0 1 0
S:S:A843 S:S:V817 3.39 0 No Yes 7 9 1 2
S:S:I839 W:W:?2 1.87 0 No Yes 7 0 1 0
S:S:A843 W:W:?2 3.1 0 No Yes 7 0 1 0
S:S:G847 W:W:?2 3.37 0 No Yes 8 0 1 0
S:S:A850 S:S:F854 4.16 0 No No 1 4 1 2
S:S:A850 W:W:?2 2.07 0 No Yes 1 0 1 0
S:S:C851 W:W:?2 4.17 3 No Yes 8 0 1 0
StatisticsValue
Average Number Of Links20.00
Average Number Of Links With An Hub6.00
Average Interaction Strength4.02
Average Nodes In Shell37.00
Average Hubs In Shell10.00
Average Links In Shell49.00
Average Links Mediated by Hubs In Shell39.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)

A 2D representation of the interactions of PCW in 8SZH
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:A835 R:R:F612 2.77 0 No No 8 8 2 1
K:K:?2 R:R:F612 3.2 3 Yes No 0 8 0 1
R:R:F821 S:S:P823 2.89 3 Yes No 9 9 2 1
R:R:T828 S:S:Y829 2.5 0 No No 8 6 2 1
R:R:F832 R:R:K831 6.2 0 No No 5 9 1 2
K:K:?2 R:R:F832 4.79 3 Yes No 0 5 0 1
S:S:L773 S:S:Q681 3.99 3 Yes Yes 8 9 2 2
K:K:?1 S:S:Q681 11.91 3 Yes Yes 0 9 1 2
S:S:F684 S:S:G685 3.01 3 Yes No 8 8 2 2
S:S:F684 S:S:W818 3.01 3 Yes Yes 8 9 2 2
K:K:?1 S:S:F684 11.8 3 Yes Yes 0 8 1 2
K:K:?1 S:S:G685 2.55 3 Yes No 0 8 1 2
S:S:E767 S:S:L773 3.98 3 No Yes 7 8 2 2
K:K:?1 S:S:E767 7.9 3 Yes No 0 7 1 2
K:K:?1 S:S:L770 4.13 3 Yes No 0 3 1 2
S:S:I777 S:S:L773 2.85 3 Yes Yes 8 8 1 2
K:K:?1 S:S:L773 6.19 3 Yes Yes 0 8 1 2
S:S:G774 S:S:I777 1.76 0 No Yes 4 8 2 1
S:S:C781 S:S:I777 1.64 3 No Yes 7 8 1 1
K:K:?1 S:S:I777 7.45 3 Yes Yes 0 8 1 1
K:K:?2 S:S:I777 3.75 3 Yes Yes 0 8 0 1
K:K:?1 S:S:T780 6.59 3 Yes No 0 7 1 2
K:K:?2 S:S:C781 2.08 3 Yes No 0 7 0 1
S:S:F821 S:S:W818 9.02 3 Yes Yes 9 9 1 2
S:S:A840 S:S:W818 7.78 3 No Yes 9 9 2 2
K:K:?1 S:S:W818 12.74 3 Yes Yes 0 9 1 2
K:K:?2 S:S:I819 5.62 3 Yes No 0 6 0 1
S:S:F821 S:S:Y825 9.28 3 Yes Yes 9 9 1 1
S:S:F821 S:S:V836 2.62 3 Yes No 9 8 1 2
S:S:E837 S:S:F821 2.33 3 Yes Yes 9 9 2 1
S:S:A840 S:S:F821 2.77 3 No Yes 9 9 2 1
K:K:?1 S:S:F821 2.72 3 Yes Yes 0 9 1 1
K:K:?2 S:S:F821 1.6 3 Yes Yes 0 9 0 1
S:S:I822 S:S:P823 5.08 3 No No 7 9 1 1
K:K:?2 S:S:I822 6.56 3 Yes No 0 7 0 1
K:K:?2 S:S:P823 9.7 3 Yes No 0 9 0 1
S:S:V833 S:S:Y825 5.05 3 No Yes 6 9 1 1
S:S:E837 S:S:Y825 6.73 3 Yes Yes 9 9 2 1
K:K:?1 S:S:Y825 10.49 3 Yes Yes 0 9 1 1
K:K:?2 S:S:Y825 12.31 3 Yes Yes 0 9 0 1
K:K:?2 S:S:A826 5.17 3 Yes No 0 5 0 1
K:K:?2 S:S:Y829 13.84 3 Yes No 0 6 0 1
S:S:E837 S:S:V833 2.85 3 Yes No 9 6 2 1
K:K:?2 S:S:V833 1.95 3 Yes No 0 6 0 1
K:K:?1 S:S:E837 5.93 3 Yes Yes 0 9 1 2
K:K:?1 K:K:?2 6.77 3 Yes Yes 0 0 1 0
K:K:?2 R:R:A843 1.03 3 Yes No 0 7 0 1
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub4.00
Average Interaction Strength5.60
Average Nodes In Shell31.00
Average Hubs In Shell11.00
Average Links In Shell47.00
Average Links Mediated by Hubs In Shell43.00
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
8SZI C Ion Calcium-sensing CaS Homo sapiens - Ca; Ca; Tryptophan; Cinacalcet; PO4; PCW Gi3/Beta1/Gamma2 3.5 2024-02-07 10.1038/s41586-024-07055-2

A 2D representation of the interactions of PCW in 8SZI
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:F788 R:R:T808 5.19 22 Yes No 8 9 1 1
R:R:F788 R:R:M811 7.46 22 Yes No 8 9 1 2
R:R:F788 R:R:L812 4.87 22 Yes No 8 9 1 1
R:R:F788 R:R:F815 4.29 22 Yes Yes 8 7 1 2
R:R:F788 W:W:?1 7.99 22 Yes Yes 8 0 1 0
R:R:F792 R:R:R795 14.97 22 No No 8 9 1 1
R:R:F792 W:W:?1 4 22 No Yes 8 0 1 0
R:R:K796 R:R:R795 9.9 22 No No 7 9 1 1
R:R:R795 W:W:?1 7.17 22 No Yes 9 0 1 0
R:R:K796 W:W:?1 1.85 22 No Yes 7 0 1 0
R:R:F806 R:R:K805 9.93 0 Yes No 5 9 2 1
R:R:K805 W:W:?1 6.48 0 No Yes 9 0 1 0
R:R:T808 W:W:?1 5.8 22 No Yes 9 0 1 0
R:R:F809 S:S:F809 3.22 0 No No 9 9 2 1
R:R:L812 W:W:?1 4.54 22 No Yes 9 0 1 0
R:R:I816 S:S:V817 4.61 0 Yes No 8 9 1 2
R:R:I816 S:S:S820 3.1 0 Yes No 8 7 1 2
R:R:I816 W:W:?1 6.56 0 Yes Yes 8 0 1 0
R:R:I819 W:W:?1 10.3 0 No Yes 6 0 1 0
S:S:K805 S:S:N802 11.19 22 Yes No 9 9 1 2
S:S:F806 S:S:K805 6.2 0 No Yes 5 9 2 1
S:S:F809 S:S:K805 7.44 22 No Yes 9 9 1 1
S:S:K805 W:W:?1 3.7 22 Yes Yes 9 0 1 0
S:S:F809 W:W:?1 9.59 22 No Yes 9 0 1 0
S:S:C851 S:S:S810 3.44 0 No No 8 9 1 2
S:S:I813 W:W:?1 1.87 0 No Yes 8 0 1 0
S:S:A843 S:S:V817 3.39 0 No No 7 9 1 2
S:S:I839 W:W:?1 1.87 0 No Yes 7 0 1 0
S:S:A843 W:W:?1 5.17 0 No Yes 7 0 1 0
S:S:G847 W:W:?1 2.24 0 No Yes 8 0 1 0
S:S:A850 W:W:?1 2.07 0 No Yes 1 0 1 0
S:S:C851 W:W:?1 2.08 0 No Yes 8 0 1 0
S:S:F619 W:W:?1 1.6 0 No Yes 3 0 1 0
R:R:I816 S:S:I816 1.47 0 Yes No 8 8 1 2
StatisticsValue
Average Number Of Links18.00
Average Number Of Links With An Hub3.00
Average Interaction Strength4.72
Average Nodes In Shell29.00
Average Hubs In Shell6.00
Average Links In Shell34.00
Average Links Mediated by Hubs In Shell29.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)

A 2D representation of the interactions of PCW in 8SZI
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:F821 S:S:P823 4.33 0 Yes No 9 9 2 1
R:R:T828 S:S:S827 4.8 0 No Yes 8 8 2 2
R:R:T828 S:S:Y829 8.74 0 No No 8 6 2 1
R:R:F832 S:S:S827 2.64 0 No Yes 5 8 1 2
K:K:?1 R:R:F832 4.79 6 Yes No 0 5 0 1
K:K:?1 R:R:A843 2.07 6 Yes No 0 7 0 1
K:K:?1 S:S:L770 2.72 6 Yes No 0 3 0 1
S:S:C781 S:S:F814 4.19 0 No Yes 7 9 1 2
K:K:?1 S:S:C781 3.12 6 Yes No 0 7 0 1
S:S:A785 S:S:F815 2.77 0 No No 2 7 2 1
K:K:?1 S:S:I819 3.75 6 Yes No 0 6 0 1
S:S:F821 S:S:Y825 7.22 6 No Yes 9 9 2 1
S:S:F821 S:S:V836 6.55 6 No No 9 8 2 2
S:S:I822 S:S:P823 5.08 6 No No 7 9 1 1
K:K:?1 S:S:I822 3.75 6 Yes No 0 7 0 1
K:K:?1 S:S:P823 4.31 6 Yes No 0 9 0 1
S:S:V833 S:S:Y825 5.05 6 No Yes 6 9 1 1
S:S:V836 S:S:Y825 5.05 6 No Yes 8 9 2 1
K:K:?1 S:S:Y825 7.69 6 Yes Yes 0 9 0 1
K:K:?1 S:S:A826 4.14 6 Yes No 0 5 0 1
S:S:T828 S:S:V833 3.17 0 No No 8 6 2 1
K:K:?1 S:S:Y829 6.15 6 Yes No 0 6 0 1
K:K:?1 S:S:V833 1.95 6 Yes No 0 6 0 1
K:K:?1 S:S:F815 1.6 6 Yes No 0 7 0 1
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub1.00
Average Interaction Strength3.84
Average Nodes In Shell21.00
Average Hubs In Shell5.00
Average Links In Shell24.00
Average Links Mediated by Hubs In Shell19.00
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 Links16.20
Average Number Of Links With An Hub3.60
Average Interaction Strength4.50
Average Nodes In Shell30.00
Average Hubs In Shell8.20
Average Links In Shell38.60
Average Links Mediated by Hubs In Shell32.40

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 🔍)