This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

Hexadecanal

PubChem CID: 984

Connections displayed (default: 10).
Loading graph...

ℹ️ Click here to know more about the properties
Compound Synonyms hexadecanal, palmitaldehyde, 629-80-1, 1-hexadecanal, N-hexadecanal, 16-Hexadecanal, Hexadecanaldehyde, Palmitic aldehyde, palmitoyl aldehyde, cetyl aldehyde, hexadecylaldehyde, EINECS 211-111-0, UNII-WQD27655QE, WQD27655QE, CHEBI:17600, AI3-24252, MFCD00055568, N-HEXADECAN-1-AL, DTXSID5042039, Palmityl Aldehyde, SCHEMBL4481, 629-80-1 (unlabeled), GTPL6627, Palmitaldehyde, 16-Hexadecanal, QSPL 064, CHEMBL1235338, DTXCID3022039, LMFA06000088, RB3019, AKOS005145523, CS-W004305, DB03381, FH23779, HY-W004305, AS-56311, SY053520, DB-073236, H1296, NS00022585, Palmitaldehyde, 1-Hexadecanal, Hexadecanaldehyde, C00517, BRD-K35114608-001-01-7, Q27077978, 211-111-0
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 17.1
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Np Classifier Class Fatty aldehydes
Deep Smiles CCCCCCCCCCCCCCCC=O
Heavy Atom Count 17.0
Classyfire Class Fatty acyls
Description Palmitaldehyde, also known as 1-hexadecanal, is a member of the class of compounds known as fatty aldehydes. Fatty aldehydes are long chain aldehydes with a chain of at least 12 carbon atoms. Thus, palmitaldehyde is considered to be a fatty aldehyde lipid molecule. Palmitaldehyde is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Palmitaldehyde can be found in a number of food items such as rose hip, lambsquarters, pak choy, and swede, which makes palmitaldehyde a potential biomarker for the consumption of these food products. Palmitaldehyde exists in all eukaryotes, ranging from yeast to humans. In humans, palmitaldehyde is involved in few metabolic pathways, which include globoid cell leukodystrophy, metachromatic leukodystrophy (MLD), and sphingolipid metabolism. Palmitaldehyde is also involved in few metabolic disorders, which include fabry disease, gaucher disease, and krabbe disease.
Classyfire Subclass Fatty aldehydes
Isotope Atom Count 0.0
Molecular Complexity 142.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id O95470, P08100, P07108, Q8WVX9, Q96K12, Q9Y5X9, P06858, n.a., P0DTD1
Iupac Name hexadecanal
Prediction Hob 1.0
Class Fatty Acyls
Veber Rule False
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 7.1
Superclass Lipids and lipid-like molecules
Subclass Fatty aldehydes
Gsk 4 400 Rule False
Molecular Formula C16H32O
Prediction Swissadme 0.0
Inchi Key NIOYUNMRJMEDGI-UHFFFAOYSA-N
Silicos It Class Moderately soluble
Fcsp3 0.9375
Logs -6.04
Rotatable Bond Count 14.0
State Solid
Logd 3.999
Synonyms 1-Hexadecanal, 16-Hexadecanal, N-Hexadecanal, Palmitoyl aldehyde, Hexadecanal, hexadecanal, palmitaldehyde
Esol Class Moderately soluble
Functional Groups CC=O
Compound Name Hexadecanal
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 240.245
Formal Charge 0.0
Monoisotopic Mass 240.245
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 240.42
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic acyclic compounds
Lipinski Rule Of 5 True
Esol -4.848172199999999
Inchi InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3
Smiles CCCCCCCCCCCCCCCC=O
Nring 0.0
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Fatty aldehydes
Np Classifier Superclass Fatty acyls

  • 1. Outgoing r'ship FOUND_IN to/from Acalypha Fruticosa (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644095
  • 2. Outgoing r'ship FOUND_IN to/from Achillea Millefolium (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1074
  • 3. Outgoing r'ship FOUND_IN to/from Ailanthus Altissima (Plant) Rel Props:Reference:https://doi.org/10.1002/cbdv.201300409
  • 4. Outgoing r'ship FOUND_IN to/from Albizia Lebbeck (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643875
  • 5. Outgoing r'ship FOUND_IN to/from Aquilaria Agallocha (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9699008
  • 6. Outgoing r'ship FOUND_IN to/from Averrhoa Bilimbi (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698710
  • 7. Outgoing r'ship FOUND_IN to/from Azadirachta Indica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643835
  • 8. Outgoing r'ship FOUND_IN to/from Bistorta Manshuriensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Bistorta Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Capsicum Annuum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1913
  • 11. Outgoing r'ship FOUND_IN to/from Catharanthus Roseus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1606
  • 12. Outgoing r'ship FOUND_IN to/from Centaurea Iberica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2012.755476
  • 13. Outgoing r'ship FOUND_IN to/from Citrullus Lanatus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2003.9698616
  • 14. Outgoing r'ship FOUND_IN to/from Citrus Japonica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700224
  • 15. Outgoing r'ship FOUND_IN to/from Citrus Maxima (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1999.9701228
  • 16. Outgoing r'ship FOUND_IN to/from Citrus Medica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Citrus Nobilis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1790
  • 18. Outgoing r'ship FOUND_IN to/from Citrus Paradisi (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1119
  • 19. Outgoing r'ship FOUND_IN to/from Citrus Reticulata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1790
  • 20. Outgoing r'ship FOUND_IN to/from Citrus Sinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9701025
  • 21. Outgoing r'ship FOUND_IN to/from Coriandrum Sativum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2008.10643676
  • 22. Outgoing r'ship FOUND_IN to/from Dorema Ammoniacum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.977572
  • 23. Outgoing r'ship FOUND_IN to/from Elsholtzia Ciliata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 24. Outgoing r'ship FOUND_IN to/from Equisetum Palustre (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700020
  • 25. Outgoing r'ship FOUND_IN to/from Eryngium Foetidum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.9700731
  • 26. Outgoing r'ship FOUND_IN to/from Euphorbia Helioscopia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1148
  • 27. Outgoing r'ship FOUND_IN to/from Gliricidia Sepium (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2015.1008231
  • 28. Outgoing r'ship FOUND_IN to/from Gmelina Arborea (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700165
  • 29. Outgoing r'ship FOUND_IN to/from Hedychium Coronarium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1993.9698190
  • 30. Outgoing r'ship FOUND_IN to/from Houttuynia Cordata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 31. Outgoing r'ship FOUND_IN to/from Lantana Camara (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1197
  • 32. Outgoing r'ship FOUND_IN to/from Litsea Monopetala (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.9700802
  • 33. Outgoing r'ship FOUND_IN to/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 34. Outgoing r'ship FOUND_IN to/from Mangifera Indica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1812
  • 35. Outgoing r'ship FOUND_IN to/from Matricaria Chamomilla (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.895210
  • 36. Outgoing r'ship FOUND_IN to/from Melissa Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10662588
  • 37. Outgoing r'ship FOUND_IN to/from Morina Longifolia (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2012.703500
  • 38. Outgoing r'ship FOUND_IN to/from Mosla Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 39. Outgoing r'ship FOUND_IN to/from Murraya Paniculata (Plant) Rel Props:Reference:ISBN:9770972795006
  • 40. Outgoing r'ship FOUND_IN to/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 41. Outgoing r'ship FOUND_IN to/from Nicotiana Tabacum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699832
  • 42. Outgoing r'ship FOUND_IN to/from Onosma Echioides (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700213
  • 43. Outgoing r'ship FOUND_IN to/from Osmanthus Fragrans (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644128
  • 44. Outgoing r'ship FOUND_IN to/from Pandanus Odorifer (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1331
  • 45. Outgoing r'ship FOUND_IN to/from Passiflora Foetida (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643715
  • 46. Outgoing r'ship FOUND_IN to/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 47. Outgoing r'ship FOUND_IN to/from Prosopis Farcta (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1652
  • 48. Outgoing r'ship FOUND_IN to/from Prunella Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 49. Outgoing r'ship FOUND_IN to/from Prunus Mahaleb (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1596
  • 50. Outgoing r'ship FOUND_IN to/from Rosa Canina (Plant) Rel Props:Reference:ISBN:9788172363093
  • 51. Outgoing r'ship FOUND_IN to/from Rosa Damascena (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.890081
  • 52. Outgoing r'ship FOUND_IN to/from Rosa Gallica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643794
  • 53. Outgoing r'ship FOUND_IN to/from Senna Alata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643995
  • 54. Outgoing r'ship FOUND_IN to/from Senna Hirsuta (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643995
  • 55. Outgoing r'ship FOUND_IN to/from Senna Occidentalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643995
  • 56. Outgoing r'ship FOUND_IN to/from Taxus Baccata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700371
  • 57. Outgoing r'ship FOUND_IN to/from Verbascum Thapsus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644063
  • 58. Outgoing r'ship FOUND_IN to/from Xylopia Aethiopica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2005.10643437
Back to Browse   Back to Home