CodeUR9
NameMonomethyl fumarate
SynonymsMonomethyl fumarate
Identifier(~{E})-4-methoxy-4-oxidanylidene-but-2-enoic acid
FormulaC5 H6 O4
Molecular Weight130.099
SMILESCOC(=O)/C=C/C(=O)O
PubChem5369209
Formal Charge0
Total Atoms15
Total Chiral Atoms0
Total Bonds14
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
8JHN A Alicarboxylic acid Hydroxycarboxylic acid HCA2 Homo Sapiens MMF - Go/Beta1/Gamma2 3.75 2024-03-06 10.1038/s41467-024-46239-2

A 2D representation of the interactions of UR9 in 8JHN
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:R22 R:R:W91 4 0 No Yes 3 4 2 1
R:R:I26 R:R:L30 7.14 2 Yes Yes 5 5 2 2
R:R:I26 R:R:W91 4.7 2 Yes Yes 5 4 2 1
R:R:L30 R:R:Y87 4.69 0 Yes Yes 5 6 2 1
R:R:L80 R:R:L83 4.15 2 Yes Yes 8 6 2 2
R:R:L80 R:R:Y284 8.21 2 Yes Yes 8 7 2 1
R:R:L83 R:R:Y87 3.52 2 Yes Yes 6 6 2 1
R:R:L107 R:R:L83 4.15 2 Yes Yes 6 6 1 2
R:R:L83 R:R:Y284 5.86 2 Yes Yes 6 7 2 1
R:R:N86 R:R:W91 3.39 2 Yes Yes 5 4 2 1
R:R:W91 R:R:Y87 4.82 2 Yes Yes 4 6 1 1
L:L:?1 R:R:Y87 8.22 2 Yes Yes 0 6 0 1
R:R:S178 R:R:W91 3.71 2 No Yes 4 4 1 1
R:R:F277 R:R:W91 9.02 2 No Yes 5 4 1 1
L:L:?1 R:R:W91 4.56 2 Yes Yes 0 4 0 1
R:R:L104 R:R:S179 4.5 0 No Yes 5 4 2 1
R:R:L107 R:R:R111 4.86 2 Yes Yes 6 8 1 1
R:R:L107 R:R:Y284 8.21 2 Yes Yes 6 7 1 1
L:L:?1 R:R:L107 16.64 2 Yes Yes 0 6 0 1
R:R:R111 R:R:S114 2.64 2 Yes No 8 9 1 2
R:R:F180 R:R:R111 5.34 2 Yes Yes 3 8 1 1
R:R:L280 R:R:R111 3.64 2 No Yes 5 8 1 1
R:R:R111 R:R:T283 7.76 2 Yes No 8 8 1 2
L:L:?1 R:R:R111 7.3 2 Yes Yes 0 8 0 1
R:R:S178 R:R:S181 3.26 2 No No 4 4 1 2
L:L:?1 R:R:S178 3.01 2 Yes No 0 4 0 1
R:R:F180 R:R:S179 6.61 2 Yes Yes 3 4 1 1
R:R:H189 R:R:S179 4.18 2 Yes Yes 5 4 2 1
L:L:?1 R:R:S179 3.01 2 Yes Yes 0 4 0 1
R:R:F180 R:R:H189 10.18 2 Yes Yes 3 5 1 2
R:R:F180 R:R:F193 7.5 2 Yes No 3 6 1 2
R:R:F180 R:R:F276 7.5 2 Yes No 3 4 1 2
L:L:?1 R:R:F180 19.52 2 Yes Yes 0 3 0 1
R:R:D273 R:R:F277 10.75 0 No No 4 5 2 1
L:L:?1 R:R:F277 3.66 2 Yes No 0 5 0 1
R:R:L280 R:R:Y284 8.21 2 No Yes 5 7 1 1
L:L:?1 R:R:L280 9.71 2 Yes No 0 5 0 1
R:R:T283 R:R:Y284 7.49 0 No Yes 8 7 2 1
L:L:?1 R:R:Y284 8.22 2 Yes Yes 0 7 0 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub7.00
Average Interaction Strength8.38
Average Nodes In Shell25.00
Average Hubs In Shell14.00
Average Links In Shell39.00
Average Links Mediated by Hubs In Shell37.00
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 Links10.00
Average Number Of Links With An Hub7.00
Average Interaction Strength8.38
Average Nodes In Shell25.00
Average Hubs In Shell14.00
Average Links In Shell39.00
Average Links Mediated by Hubs In Shell37.00

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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 🔍)