22-Hydroxydocosanoic acid

Details

• Internal ID: fe013f66-702f-47e8-901c-11d9446ea656
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Very long-chain fatty acids
• IUPAC Name: 22-hydroxydocosanoic acid
• SMILES (Canonical): C(CCCCCCCCCCC(=O)O)CCCCCCCCCCO
• SMILES (Isomeric): C(CCCCCCCCCCC(=O)O)CCCCCCCCCCO
• InChI: InChI=1S/C22H44O3/c23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(24)25/h23H,1-21H2,(H,24,25)
• InChI Key: IBPVZXPSTLXWCG-UHFFFAOYSA-N
• Popularity: 32 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₂H₄₄O₃
• Molecular Weight: 356.60 g/mol
• Exact Mass: 356.32904526 g/mol
• Topological Polar Surface Area (TPSA): 57.50 Ų
• XlogP: 7.50

Synonyms

• 506-45-6
• Phellonic acid
• 22-hydroxy-docosanoic acid
• omega-hydroxy behenic acid
• 22-Hydroxydocosanoic acid (Omega-Hydroxybehenic acid)
• Phellonsaure
• LMFA01050079
• 22-hydroxybehenic acid
• omega-hydroxybehenic acid
• omega-hydroxydocosanoic acid
• SCHEMBL150882
• CHEBI:76322
• DTXSID40415255
• IBPVZXPSTLXWCG-UHFFFAOYSA-N
• MFCD02259052
• PD077275
• CS-0435126
• C19623
• E84032
• Q27145882

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.95%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	92.46%	99.17%
CHEMBL5285	Q99683	Mitogen-activated protein kinase kinase kinase 5	87.08%	92.26%
CHEMBL4040	P28482	MAP kinase ERK2	85.81%	83.82%
CHEMBL1781	P11387	DNA topoisomerase I	83.61%	97.00%
CHEMBL2581	P07339	Cathepsin D	83.26%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	82.22%	91.11%

Plants that contains it

• Arabidopsis thaliana
• Pinus radiata

Cross-Links

• PubChem: 5282922
• LOTUS: LTS0105064
• wikiData: Q27145882