CodeL9Q
Name(1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate
Synonyms1-stearoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine
Identifier[(2S)-3-[2-azanylethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] octadecanoate
FormulaC41 H80 N O8 P
Molecular Weight746.05
SMILESCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
PubChem23727970
Formal Charge0
Total Atoms131
Total Chiral Atoms1
Total Bonds130
Total Aromatic Bonds0
Networks2
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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
6W2X C Aminoacid GABAB GABAB1; GABAB2 Homo sapiens PubChem 5311042 PubChem 23727970 - 3.6 2020-07-01 10.1038/s41586-020-2469-4

A 2D representation of the interactions of L9Q in 6W2X
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:A640 R:R:L670 1.58 0 No Yes 7 8 2 1
R:R:A643 R:R:L670 1.58 0 No Yes 8 8 2 1
R:R:P646 R:R:V662 3.53 3 Yes No 6 5 2 2
R:R:P646 R:R:R666 2.88 3 Yes No 6 8 2 1
R:R:R666 R:R:V662 9.15 3 No No 8 5 1 2
R:R:R666 W:W:?905 7.58 3 No Yes 8 0 1 0
R:R:L667 R:R:L725 4.15 0 Yes No 5 8 1 2
R:R:L667 R:R:W728 3.42 0 Yes Yes 5 9 1 2
R:R:L667 R:R:Q729 3.99 0 Yes No 5 6 1 2
R:R:L667 W:W:?905 1.73 0 Yes Yes 5 0 1 0
R:R:G671 R:R:L670 1.71 3 No Yes 6 8 1 1
R:R:L670 W:W:?905 7.77 3 Yes Yes 8 0 1 0
R:R:G671 R:R:L725 1.71 3 No No 6 8 1 2
R:R:G671 W:W:?905 2.13 3 No Yes 6 0 1 0
R:R:F674 R:R:K777 4.96 0 No Yes 9 9 1 2
R:R:F674 W:W:?905 9.12 0 No Yes 9 0 1 0
R:R:E739 R:R:L758 5.3 3 No Yes 4 5 2 2
R:R:E739 R:R:H760 7.39 3 No Yes 4 4 2 1
R:R:H760 R:R:L758 12.86 3 Yes Yes 4 5 1 2
R:R:H760 R:R:S762 4.18 3 Yes No 4 5 1 2
R:R:H760 W:W:?905 2.41 3 Yes Yes 4 0 1 0
R:R:F773 R:R:K777 4.96 0 No Yes 6 9 1 2
R:R:F773 W:W:?905 6.84 0 No Yes 6 0 1 0
R:R:A820 R:R:Y774 4 0 No No 7 6 2 1
R:R:Y774 W:W:?905 2.93 0 No Yes 6 0 1 0
R:R:C816 R:R:L781 3.17 0 No Yes 8 8 1 2
R:R:C816 R:R:V812 1.71 0 No No 8 8 1 2
R:R:C816 W:W:?905 4.95 0 No Yes 8 0 1 0
R:R:A840 R:R:T819 3.36 0 No No 6 8 2 1
R:R:T819 W:W:?905 2.76 0 No Yes 8 0 1 0
R:R:A837 R:R:T823 1.68 0 No No 5 7 2 1
R:R:T823 W:W:?905 1.84 0 No Yes 7 0 1 0
R:R:S844 R:R:S845 1.63 0 No Yes 7 8 1 2
R:R:S844 W:W:?905 2.81 0 No Yes 7 0 1 0
R:R:L815 R:R:S844 1.5 0 No No 7 7 2 1
R:R:G775 R:R:Y774 1.45 0 No No 4 6 2 1
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub3.00
Average Interaction Strength4.41
Average Nodes In Shell32.00
Average Hubs In Shell10.00
Average Links In Shell36.00
Average Links Mediated by Hubs In Shell28.00
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 L9Q in 6W2X
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:D540 S:S:I477 5.6 0 Yes No 8 7 1 2
S:S:L536 S:S:R556 7.29 0 No No 6 7 2 1
S:S:F537 S:S:R556 7.48 0 Yes No 5 7 2 1
S:S:D540 S:S:G541 3.35 0 Yes Yes 8 5 1 2
S:S:D540 S:S:F549 3.58 0 Yes Yes 8 4 1 2
S:S:D540 X:X:?1003 1.69 0 Yes Yes 8 0 1 0
S:S:R556 X:X:?1003 4.55 0 No Yes 7 0 1 0
S:S:T557 X:X:?1003 3.68 0 No Yes 4 0 1 0
S:S:D608 S:S:T561 4.34 59 Yes No 9 7 2 1
S:S:L612 S:S:T561 7.37 0 No No 7 7 2 1
S:S:T561 X:X:?1003 1.84 0 No Yes 7 0 1 0
S:S:K664 S:S:Y564 9.55 0 Yes Yes 9 9 1 2
S:S:M668 S:S:Y564 9.58 9 Yes Yes 8 9 1 2
S:S:C703 S:S:Y564 2.69 9 Yes Yes 7 9 1 2
S:S:D608 S:S:K664 4.15 59 Yes Yes 9 9 2 1
S:S:E626 S:S:H647 17.23 0 No Yes 4 5 2 1
S:S:E649 S:S:H647 9.85 9 No Yes 4 5 2 1
S:S:H647 S:S:R714 11.28 9 Yes No 5 3 1 2
S:S:H647 X:X:?1003 4.81 9 Yes Yes 5 0 1 0
S:S:E649 S:S:R714 3.49 9 No No 4 3 2 2
S:S:L657 S:S:Y661 10.55 0 No No 5 6 2 1
S:S:F711 S:S:L657 4.87 0 No No 5 5 2 2
S:S:K664 S:S:V660 3.04 0 Yes No 9 5 1 2
S:S:Y661 X:X:?1003 2.19 0 No Yes 6 0 1 0
S:S:K664 X:X:?1003 6.16 0 Yes Yes 9 0 1 0
S:S:G665 S:S:M668 3.49 0 No Yes 8 8 2 1
S:S:C703 S:S:M668 4.86 9 Yes Yes 7 8 1 1
S:S:M668 X:X:?1003 3.53 9 Yes Yes 8 0 1 0
S:S:C703 S:S:V699 1.71 9 Yes Yes 7 9 1 2
S:S:C731 S:S:V699 5.12 0 No Yes 7 9 1 2
S:S:C731 S:S:M702 8.1 0 No No 7 7 1 2
S:S:C703 X:X:?1003 5.94 9 Yes Yes 7 0 1 0
S:S:G706 S:S:I705 1.76 0 No No 7 6 1 2
S:S:G706 X:X:?1003 2.13 0 No Yes 7 0 1 0
S:S:F711 S:S:S710 3.96 0 No No 5 7 2 1
S:S:S710 X:X:?1003 2.81 0 No Yes 7 0 1 0
S:S:I728 X:X:?1003 2.67 0 No Yes 8 0 1 0
S:S:C731 X:X:?1003 1.98 0 No Yes 7 0 1 0
S:S:A707 S:S:Y661 1.33 0 No No 6 6 2 1
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub5.00
Average Interaction Strength3.38
Average Nodes In Shell33.00
Average Hubs In Shell12.00
Average Links In Shell39.00
Average Links Mediated by Hubs In Shell30.00
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
6W2Y C Aminoacid GABAB GABAB1; GABAB1 Homo sapiens PubChem 5311042 PubChem 23727970 - 3.2 2020-07-01 10.1038/s41586-020-2469-4

A 2D representation of the interactions of L9Q in 6W2Y
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:A643 R:R:L670 3.15 0 No No 8 8 2 1
R:R:L647 R:R:R666 4.86 3 No Yes 5 8 1 1
R:R:L647 W:W:?1023 4.32 3 No Yes 5 0 1 0
R:R:R666 R:R:V662 6.54 3 Yes Yes 8 5 1 2
R:R:R666 W:W:?1023 6.06 3 Yes Yes 8 0 1 0
R:R:L667 R:R:L725 5.54 3 Yes Yes 5 8 1 2
R:R:L667 R:R:W728 10.25 3 Yes Yes 5 9 1 2
R:R:L667 R:R:Q729 3.99 3 Yes Yes 5 6 1 2
R:R:L667 R:R:L734 4.15 3 Yes Yes 5 6 1 2
R:R:L667 W:W:?1023 3.45 3 Yes Yes 5 0 1 0
R:R:L670 W:W:?1023 11.23 0 No Yes 8 0 1 0
R:R:F674 R:R:Y678 6.19 3 Yes Yes 9 8 1 2
R:R:F674 R:R:K777 4.96 3 Yes No 9 9 1 2
R:R:F674 R:R:L781 3.65 3 Yes Yes 9 8 1 2
R:R:F674 W:W:?1023 11.4 3 Yes Yes 9 0 1 0
R:R:L781 R:R:Y678 15.24 3 Yes Yes 8 8 2 2
R:R:Q729 R:R:W728 7.67 3 Yes Yes 6 9 2 2
R:R:L734 R:R:Q729 3.99 3 Yes Yes 6 6 2 2
R:R:H760 R:R:L758 10.29 3 No Yes 4 5 1 2
R:R:H760 R:R:Q830 8.65 3 No No 4 5 1 1
R:R:H760 W:W:?1023 6.42 3 No Yes 4 0 1 0
R:R:A820 R:R:Y774 9.34 0 No No 7 6 2 1
R:R:M824 R:R:Y774 3.59 0 No No 5 6 2 1
R:R:Y774 W:W:?1023 8.78 0 No Yes 6 0 1 0
R:R:C816 W:W:?1023 9.9 0 No Yes 8 0 1 0
R:R:A840 R:R:T819 5.03 0 No No 6 8 1 2
R:R:T823 W:W:?1023 9.2 0 No Yes 7 0 1 0
R:R:Q830 W:W:?1023 5.81 3 No Yes 5 0 1 0
R:R:I841 W:W:?1023 3.56 0 No Yes 7 0 1 0
R:R:S844 R:R:S845 3.26 0 No No 7 8 1 2
R:R:S844 W:W:?1023 8.43 0 No Yes 7 0 1 0
R:R:P646 R:R:R666 2.88 0 No Yes 6 8 2 1
R:R:G677 W:W:?1023 2.13 0 No Yes 7 0 1 0
R:R:A840 W:W:?1023 1.97 0 No Yes 6 0 1 0
R:R:G677 R:R:L676 1.71 0 No Yes 7 7 1 2
R:R:C816 R:R:V812 1.71 0 No No 8 8 1 2
R:R:A837 R:R:T823 1.68 0 No No 5 7 2 1
R:R:A640 R:R:I841 1.62 0 No No 7 7 2 1
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub3.00
Average Interaction Strength6.62
Average Nodes In Shell34.00
Average Hubs In Shell13.00
Average Links In Shell38.00
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 L9Q in 6W2Y
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:C637 S:S:T848 3.38 0 No Yes 5 8 2 1
S:S:A643 S:S:L670 3.15 0 No No 8 8 2 1
S:S:I841 S:S:V644 3.07 0 No No 7 8 1 2
S:S:P646 S:S:R666 4.32 0 No Yes 6 8 2 1
S:S:L647 S:S:R666 3.64 0 No Yes 5 8 2 1
S:S:R666 S:S:V662 6.54 0 Yes No 8 5 1 2
S:S:R666 X:X:?1023 12.88 0 Yes Yes 8 0 1 0
S:S:L670 X:X:?1023 7.77 0 No Yes 8 0 1 0
S:S:F674 S:S:Y678 4.13 4 Yes Yes 9 8 1 2
S:S:F674 S:S:K777 4.96 4 Yes No 9 9 1 2
S:S:F674 S:S:L781 3.65 4 Yes Yes 9 8 1 2
S:S:F674 X:X:?1023 8.36 4 Yes Yes 9 0 1 0
S:S:L781 S:S:Y678 12.89 4 Yes Yes 8 8 2 2
S:S:M681 S:S:T848 3.01 4 Yes Yes 9 8 2 1
S:S:H760 S:S:L758 20.57 4 Yes No 4 5 1 2
S:S:L758 S:S:Q830 6.65 4 No No 5 5 2 1
S:S:H760 S:S:Q830 3.71 4 Yes No 4 5 1 1
S:S:H760 X:X:?1023 6.42 4 Yes Yes 4 0 1 0
S:S:L770 S:S:Y774 5.86 4 Yes Yes 5 6 2 1
S:S:L770 S:S:M824 5.65 4 Yes No 5 5 2 2
S:S:A820 S:S:Y774 9.34 0 No Yes 7 6 2 1
S:S:M824 S:S:Y774 3.59 4 No Yes 5 6 2 1
S:S:Y774 X:X:?1023 16.09 4 Yes Yes 6 0 1 0
S:S:T848 S:S:V812 3.17 0 Yes No 8 8 1 2
S:S:C816 X:X:?1023 12.87 0 No Yes 8 0 1 0
S:S:A840 S:S:T819 5.03 0 No No 6 8 2 1
S:S:T823 X:X:?1023 4.6 0 No Yes 7 0 1 0
S:S:Q830 X:X:?1023 5.81 4 No Yes 5 0 1 0
S:S:I841 X:X:?1023 4.45 0 No Yes 7 0 1 0
S:S:S844 X:X:?1023 8.43 0 No Yes 7 0 1 0
S:S:T848 X:X:?1023 3.68 0 Yes Yes 8 0 1 0
S:S:A640 X:X:?1023 2.95 0 No Yes 7 0 1 0
S:S:T819 X:X:?1023 2.76 0 No Yes 8 0 1 0
S:S:A837 X:X:?1023 1.97 0 No Yes 5 0 1 0
S:S:H760 S:S:S827 1.39 4 Yes No 4 4 1 2
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub5.00
Average Interaction Strength7.07
Average Nodes In Shell32.00
Average Hubs In Shell10.00
Average Links In Shell35.00
Average Links Mediated by Hubs In Shell31.00
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 Links13.25
Average Number Of Links With An Hub4.00
Average Interaction Strength5.37
Average Nodes In Shell32.75
Average Hubs In Shell11.25
Average Links In Shell37.00
Average Links Mediated by Hubs In Shell29.50

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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 🔍)