2-Hydroxytetracosanoic acid

Details

• Internal ID: faf3d30d-9338-4f83-8565-60b208e87321
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Very long-chain fatty acids
• IUPAC Name: 2-hydroxytetracosanoic acid
• SMILES (Canonical): CCCCCCCCCCCCCCCCCCCCCCC(C(=O)O)O
• SMILES (Isomeric): CCCCCCCCCCCCCCCCCCCCCCC(C(=O)O)O
• InChI: InChI=1S/C24H48O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(25)24(26)27/h23,25H,2-22H2,1H3,(H,26,27)
• InChI Key: MSUOLNSQHLHDAS-UHFFFAOYSA-N
• Popularity: 143 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₄H₄₈O₃
• Molecular Weight: 384.60 g/mol
• Exact Mass: 384.36034539 g/mol
• Topological Polar Surface Area (TPSA): 57.50 Ų
• XlogP: 10.70

Synonyms

• Cerebronic acid
• 544-57-0
• Phrenosinic acid
• DL-Cerebronic acid
• Phrenosic acid
• 2-hydroxylignoceric acid
• 2-hydroxy Lignoceric Acid
• 2-hydroxy-tetracosanoic acid
• 66QN3B074E
• Cerebronsaeure
• acide cerebronique
• a-hydroxylignoceric acid
• 2-Hydroxy-tetracosansaeure
• 2-hydroxytetraicosanoic acid
• 2-hydroxytetraeicosanoic acid
• SCHEMBL338278
• UNII-66QN3B074E
• Tetracosanoic acid, 2-hydroxy-
• CHEBI:61302
• DTXSID40969526
• LMFA01050080
• .ALPHA.-HYDROXYLIGNOCERIC ACID
• AKOS027379899
• .ALPHA.-HYDROXYTETRACOSANOIC ACID
• PD060508
• FT-0632358
• C17873
• Q11751627

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL3714079	Q9NQS5	G-protein coupled receptor 84	318 nM	Ki	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2581	P07339	Cathepsin D	96.14%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.21%	96.09%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	93.60%	97.29%
CHEMBL3060	Q9Y345	Glycine transporter 2	93.51%	99.17%
CHEMBL3359	P21462	Formyl peptide receptor 1	89.66%	93.56%
CHEMBL221	P23219	Cyclooxygenase-1	89.36%	90.17%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	89.09%	92.86%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	88.65%	92.08%
CHEMBL2265	P23141	Acyl coenzyme A:cholesterol acyltransferase	87.82%	85.94%
CHEMBL1907	P15144	Aminopeptidase N	84.13%	93.31%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	83.67%	96.95%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	83.02%	100.00%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	81.72%	100.00%
CHEMBL4227	P25090	Lipoxin A4 receptor	81.09%	100.00%

Plants that contains it

• Allamanda cathartica
• Arabidopsis thaliana

Cross-Links

• PubChem: 102430
• LOTUS: LTS0247191
• wikiData: Q11751627