nonanoic acid

SMILES:
CCCCCCCCC(=O)[O-]

Aroma Description:
cheesy, dairy, dirty, waxy1

Receptor log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
OR51E1 -4.71 4, -3.61 5, -5.3 6 -  cheesy, sweaty, sour, acidic
OR2W1 -3.72 5 4.6667 3, 9.5 5, 9.0909 8  fatty, sweet, herbal, cucumber, orange, tart, mimosa, spicy, coumarinic, passionfruit
OR10A6 - 8.6364 8  floral, honey, rhubarb, neroli, cyclamen, cinnamyl, hyacinth, rose, dirty, balsamic
OR56A5 -4.42 10 7.7 10  rancid, cheesy, buttermilk, sweaty, sour
OR52B2 -4.08 10 1.2 10  rancid, cheesy, sour, juicy, tart
OR52D1 - 2.8934 2  anise, cheesy, orange, sweet, dairy, sour, rancid, waxy, tart, sharp
OR1G1 - 2.7919 2  waxy, tart, orange, sweet, aldehydic, fresh, citrus, clean, medicinal, anise
OR1C1 - 2.3333 3  blueberry, bois_de_rose
OR10G3 - 0 3   
OR10G7 - 0 3   
OR10J5 - 0 3, 0 5   
OR11A1 - 0 3   
OR2A25 - 0 3   
OR2B11 - 0 3   
OR2J2 - 0 3, 0 5   
OR2J3 - 0 3   
OR51L1 - 0 3, 0 5   
OR56A4 - 0 3   
OR5K1 - 0 3   
OR8D1 - 0 3   
OR8K3 - 0 3   
OR2C1 - 0 5   
OR51E2 - 0 9   
OR1A1 - -1 3, 0 5   
OR5P3 - -2.6 3, 0 5   
 

nonanoic acid

SMILES:
CCCCCCCCC(=O)[O-]

Aroma Description:
cheesy, dairy, dirty, waxy

Receptor Dock Score Affinity A100 Correlated Perceptual Qualities
OR51E1 3.3339 17.549 51.3571 cheesy, sweaty, sour, acidic
OR51E2 0 0 (unknown)  

Dock Score: This is a measure of whether the algorithm thinks the odorant is an agonist of the receptor.
Affinity: The binding affinity, in kJ/mol, of the ligand docked in the active or inactive model, whichever is greater.
A100: A measure of the degree of activation of the receptor. See Ibrahim et al (2019).

1.) The Good Scents Company

2.) Guenhael Sanz, Claire Schlegel, Jean-Claude Pernollet and Loic Briand Comparison of Odorant Specificity of Two Human Olfactory Receptors from Different Phylogenetic Classes and Evidence for Antagonism Chemical Senses vol. 30 no. 1 (2005) doi:10.1093/chemse/bji002

3.) Adipietro KA, Mainland JD, Matsunami H (2012) Functional Evolution of Mammalian Odorant Receptors. PLoS Genet 8(7): e1002821. doi:10.1371/ journal.pgen.1002821

4.) Audouze K, Tromelin A, Le Bon AM, Belloir C, Petersen RK, et al. () Identification of Odorant-Receptor Interactions by Global Mapping of the Human Odorome. PLoS ONE 9(4): e93037. doi:10.1371/journal.pone.0093037

5.) Saito H, Chi Q, Zhuang H, Matsunami H, Mainland JD. Odor coding by a Mammalian receptor repertoire. Sci Signal. 2009 Mar 3;2(60):ra9. doi: 10.1126/scisignal.2000016. PMID: 19261596; PMCID: PMC2774247.

6.) Dunkel, A.; Steinhaus, M.; Kotthoff, M.; Nowak, B.; Krautwurst, D.; Schieberle, P.; Hofmann, T. Nature’s chemical signatures in human olfaction: A foodborne perspective for future biotechnology. Angew. Chem. Int. Ed. Engl. 2014, 53, 7124–7143.

7.) Halperin Kuhns, V. L., Sanchez, J., Sarver, D. C., Khalil, Z., Rajkumar, P., Marr, K. A., & Pluznick, J. L. (2019). Characterizing novel olfactory receptors expressed in the murine renal cortex. American Journal of Physiology-Renal Physiology, 317(1), F172-F186.

8.) Aya Kato, Naoko Saito, Etsuji Wakisaka (2016) Method for searching for malodor control agent, malodor control agent, and malodor control method. US9526680B2

9.) Christian B. Billesbølle, Claire A. de March, Wijnand J. C. van der Velden, Ning Ma, Jeevan Tewari, Claudia Llinas del Torrent, Linus Li, Bryan Faust, Nagarajan Vaidehi, Hiroaki Matsunami, Aashish Manglik. Structural basis of odorant recognition by a human odorant receptor. bioRxiv 2022.12.20.520951; doi: https://doi.org/10.1101/2022.12.20.520951

10.) Chatelain Pierre, Veithen Alex, Olfactory Receptors involved in the perception of sweat carboxylic acids and the use thereof. WO 2014/191047