1-Palmitoyl-galactosylglycerol

Details

• Internal ID: 17e53f3b-2092-4fc7-bdb8-807cccbed0a4
• Taxonomy: Lipids and lipid-like molecules > Glycerolipids > Glycosylglycerols > Glycosylmonoacylglycerols
• IUPAC Name: [(2S)-2-hydroxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] hexadecanoate
• SMILES (Canonical): CCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)O
• SMILES (Isomeric): CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O
• InChI: InChI=1S/C25H48O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(28)32-17-19(27)18-33-25-24(31)23(30)22(29)20(16-26)34-25/h19-20,22-27,29-31H,2-18H2,1H3/t19-,20-,22+,23+,24-,25-/m1/s1
• InChI Key: DWKQIHQQZYILDB-DISYYVGZSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₅H₄₈O₉
• Molecular Weight: 492.60 g/mol
• Exact Mass: 492.32983310 g/mol
• Topological Polar Surface Area (TPSA): 146.00 Ų
• XlogP: 4.50

Synonyms

• CHEMBL465806
• 1-hexadecanoyl-sn-beta-D-galactopyranosylglycerol

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	98.44%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	97.70%	99.17%
CHEMBL2265	P23141	Acyl coenzyme A:cholesterol acyltransferase	96.37%	85.94%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	96.23%	97.29%
CHEMBL2581	P07339	Cathepsin D	95.40%	98.95%
CHEMBL5255	O00206	Toll-like receptor 4	92.58%	92.50%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	90.57%	92.86%
CHEMBL253	P34972	Cannabinoid CB2 receptor	90.51%	97.25%
CHEMBL299	P17252	Protein kinase C alpha	90.32%	98.03%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.42%	91.11%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	88.73%	100.00%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	87.53%	92.08%
CHEMBL1293316	Q9HBX9	Relaxin receptor 1	86.99%	82.50%
CHEMBL4227	P25090	Lipoxin A4 receptor	85.59%	100.00%
CHEMBL3359	P21462	Formyl peptide receptor 1	84.11%	93.56%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	83.56%	94.33%
CHEMBL1907602	P06493	Cyclin-dependent kinase 1/cyclin B1	83.55%	91.24%
CHEMBL3401	O75469	Pregnane X receptor	83.41%	94.73%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	82.93%	96.00%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	81.14%	96.95%
CHEMBL4681	P42330	Aldo-keto-reductase family 1 member C3	80.44%	89.05%

Plants that contains it

• Cibotium barometz

Cross-Links

• PubChem: 10413348
• LOTUS: LTS0076770
• wikiData: Q104990586