2-hydroxy capric acid   

GtoPdb Ligand ID: 5847

Synonyms: 2-hydroxy-decanoic acid | 2-OH-C10
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 57.53
Molecular weight 188.14
XLogP 3.18
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCCCCCCCC(C(=O)O)O
Isomeric SMILES CCCCCCCCC(C(=O)O)O
InChI InChI=1S/C10H20O3/c1-2-3-4-5-6-7-8-9(11)10(12)13/h9,11H,2-8H2,1H3,(H,12,13)
InChI Key GHPVDCPCKSNJDR-UHFFFAOYSA-N
References
1. Suzuki M, Takaishi S, Nagasaki M, Onozawa Y, Iino I, Maeda H, Komai T, Oda T. (2013)
Medium-chain Fatty Acid-sensing Receptor, GPR84, Is a Proinflammatory Receptor.
J. Biol. Chem., 288 (15): 10684-91. [PMID:23449982]