decanoic acid   

GtoPdb Ligand ID: 5532

Synonyms: capric acid | decoic acid
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 37.3
Molecular weight 172.15
XLogP 4.16
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCCCCCCCCC(=O)O
Isomeric SMILES CCCCCCCCCC(=O)O
InChI InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
InChI Key GHVNFZFCNZKVNT-UHFFFAOYSA-N
References
1. Southern C, Cook JM, Neetoo-Isseljee Z, Taylor DL, Kettleborough CA, Merritt A, Bassoni DL, Raab WJ, Quinn E, Wehrman TS et al.. (2013)
Screening β-Arrestin Recruitment for the Identification of Natural Ligands for Orphan G-Protein-Coupled Receptors.
J Biomol Screen, 18 (5): 599-609. [PMID:23396314]
2. Wang J, Wu X, Simonavicius N, Tian H, Ling L. (2006)
Medium-chain fatty acids as ligands for orphan G protein-coupled receptor GPR84.
J. Biol. Chem., 281 (45): 34457-64. [PMID:16966319]