CodeOCA
NameCaprylic acid
SynonymsAcidum octanoicum
Identifieroctanoic acid
FormulaC8 H16 O2
Molecular Weight144.211
SMILESCCCCCCCC(=O)O
PubChem135372298
Formal Charge0
Total Atoms26
Total Chiral Atoms0
Total Bonds25
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
7F9Y A Peptide Ghrelin Ghrelin Homo sapiens Ghrelin-28 - chim(NtGi1-Gs-CtGq)/Beta1/Gamma2 2.9 2021-08-18 10.1038/s41467-021-25364-2

A 2D representation of the interactions of OCA in 7F9Y
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
L:L:S4 R:R:F286 10.57 0 No Yes 0 4 1 2
L:L:?1 L:L:S4 12.89 2 Yes No 0 0 0 1
R:R:Q120 R:R:R102 3.5 0 Yes Yes 4 5 1 2
R:R:F119 R:R:Q120 3.51 2 Yes Yes 4 4 2 1
R:R:Q120 R:R:V182 8.6 0 Yes No 4 4 1 2
R:R:C198 R:R:Q120 3.05 2 No Yes 9 4 2 1
L:L:?1 R:R:Q120 10.16 2 Yes Yes 0 4 0 1
R:R:A175 R:R:F121 2.77 2 Yes Yes 7 6 2 2
R:R:F121 R:R:I178 2.51 2 Yes No 6 4 2 1
R:R:E124 R:R:Y128 15.71 2 Yes Yes 4 6 1 1
R:R:A175 R:R:E124 3.02 2 Yes Yes 7 4 2 1
R:R:E124 R:R:I178 5.47 2 Yes No 4 4 1 1
R:R:E124 R:R:S217 2.87 2 Yes Yes 4 6 1 2
R:R:E124 R:R:R283 10.47 2 Yes Yes 4 6 1 1
L:L:?1 R:R:E124 10.11 2 Yes Yes 0 4 0 1
R:R:S174 R:R:Y128 8.9 2 No Yes 5 6 2 1
R:R:A175 R:R:Y128 2.67 2 Yes Yes 7 6 2 1
R:R:S217 R:R:Y128 7.63 2 Yes Yes 6 6 2 1
R:R:F220 R:R:Y128 11.35 2 Yes Yes 6 6 2 1
L:L:?1 R:R:Y128 2.24 2 Yes Yes 0 6 0 1
R:R:F220 R:R:S174 3.96 2 Yes No 6 5 2 2
L:L:?1 R:R:I178 9.53 2 Yes No 0 4 0 1
R:R:L181 R:R:M213 4.24 0 No No 4 5 2 1
R:R:M213 R:R:S287 3.07 0 No No 5 4 1 2
L:L:?1 R:R:M213 5.39 2 Yes No 0 5 0 1
R:R:R283 R:R:S217 7.91 2 Yes Yes 6 6 1 2
R:R:F279 R:R:R283 12.83 2 Yes Yes 6 6 2 1
L:L:?1 R:R:R283 13.9 2 Yes Yes 0 6 0 1
StatisticsValue
Average Number Of Links7.00
Average Number Of Links With An Hub4.00
Average Interaction Strength9.17
Average Nodes In Shell21.00
Average Hubs In Shell13.00
Average Links In Shell28.00
Average Links Mediated by Hubs In Shell26.00
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
8HTI A Olfactory receptors Olfactory OR52C Homo Sapiens Ocatnoic Acid - Gs/Beta1/Gamma2 2.97 2023-12-20 10.1038/s41467-023-43983-9

A 2D representation of the interactions of OCA in 8HTI
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:H107 R:R:M103 5.25 0 No Yes 0 0 1 2
R:R:F161 R:R:M103 2.49 6 Yes Yes 0 0 1 2
R:R:L165 R:R:M103 2.83 6 No Yes 0 0 2 2
R:R:H183 R:R:M103 6.57 6 Yes Yes 0 0 1 2
R:R:H107 R:R:V158 2.77 0 No No 0 0 1 2
L:L:?1 R:R:H107 12.26 6 Yes No 0 0 0 1
L:L:?1 R:R:T110 2.81 6 Yes No 0 0 0 1
R:R:I208 R:R:R153 3.76 6 Yes No 0 0 1 2
R:R:I208 R:R:L157 4.28 6 Yes No 0 0 1 2
R:R:F161 R:R:V158 2.62 6 Yes No 0 0 1 2
R:R:F161 R:R:H183 23.76 6 Yes Yes 0 0 1 1
R:R:F161 R:R:Y200 6.19 6 Yes Yes 0 0 1 2
L:L:?1 R:R:F161 5.81 6 Yes Yes 0 0 0 1
R:R:H183 R:R:L165 7.71 6 Yes No 0 0 1 2
L:L:?1 R:R:H183 8.58 6 Yes Yes 0 0 0 1
R:R:I198 R:R:R265 8.77 0 No Yes 0 0 2 1
R:R:L202 R:R:R265 3.64 6 No Yes 0 0 2 1
R:R:F266 R:R:L202 2.44 6 No No 0 0 2 2
R:R:I208 R:R:V209 3.07 6 Yes Yes 0 0 1 1
L:L:?1 R:R:I208 4.08 6 Yes Yes 0 0 0 1
R:R:V209 R:R:Y254 5.05 6 Yes Yes 0 0 1 2
R:R:F258 R:R:V209 7.87 0 No Yes 0 0 2 1
L:L:?1 R:R:V209 2.84 6 Yes Yes 0 0 0 1
R:R:A257 R:R:F261 2.77 0 No No 0 0 2 1
L:L:?1 R:R:F261 16.26 6 Yes No 0 0 0 1
R:R:F266 R:R:R265 6.41 6 No Yes 0 0 2 1
L:L:?1 R:R:R265 8.11 6 Yes Yes 0 0 0 1
R:R:G210 R:R:V209 1.84 0 No Yes 0 0 2 1
L:L:?1 R:R:G201 1.63 6 Yes No 0 0 0 1
L:L:?1 R:R:A205 1.5 6 Yes No 0 0 0 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub5.00
Average Interaction Strength6.39
Average Nodes In Shell24.00
Average Hubs In Shell9.00
Average Links In Shell30.00
Average Links Mediated by Hubs In Shell27.00
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 Links8.50
Average Number Of Links With An Hub4.50
Average Interaction Strength7.78
Average Nodes In Shell22.50
Average Hubs In Shell11.00
Average Links In Shell29.00
Average Links Mediated by Hubs In Shell26.50

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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 🔍)