UDP-2,3-bis(3-hydroxytetradecanoyl)-D-glucosamine

Details

• Internal ID: d14e5727-c197-4c96-ad3c-602f46cf576f
• Taxonomy: Nucleosides, nucleotides, and analogues > Pyrimidine nucleotides > Pyrimidine nucleotide sugars
• IUPAC Name: [(3R,4R,5S,6R)-2-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(3-hydroxytetradecanoylamino)oxan-4-yl] 3-hydroxytetradecanoate
• InChI: InChI=1S/C43H77N3O20P2/c1-3-5-7-9-11-13-15-17-19-21-29(48)25-34(51)44-36-40(64-35(52)26-30(49)22-20-18-16-14-12-10-8-6-4-2)38(54)31(27-47)63-42(36)65-68(59,60)66-67(57,58)61-28-32-37(53)39(55)41(62-32)46-24-23-33(50)45-43(46)56/h23-24,29-32,36-42,47-49,53-55H,3-22,25-28H2,1-2H3,(H,44,51)(H,57,58)(H,59,60)(H,45,50,56)/t29?,30?,31-,32-,36-,37-,38-,39-,40-,41-,42?/m1/s1
• InChI Key: KOJCFMYSTWNMQW-LNGUGUEYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄₃H₇₇N₃O₂₀P₂
• Molecular Weight: 1018.00 g/mol
• Exact Mass: 1017.45756585 g/mol
• Topological Polar Surface Area (TPSA): 347.00 Ų
• XlogP: 4.30

Synonyms

• uridine 5'-{3-[2-deoxy-2-(3-hydroxytetradecanamido)-3-O-(3-hydroxytetradecanoyl)-D-glucopyranosyl] dihydrogen diphosphate}
• CHEBI:17787
• Q27102611
• [(3R,4R,5S,6R)-2-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(3-hydroxytetradecanoylamino)oxan-4-yl] 3-hydroxytetradecanoate

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	99.14%	96.09%
CHEMBL2581	P07339	Cathepsin D	99.03%	98.95%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	97.10%	97.29%
CHEMBL5255	O00206	Toll-like receptor 4	95.53%	92.50%
CHEMBL3060	Q9Y345	Glycine transporter 2	95.12%	99.17%
CHEMBL1075162	Q13304	Uracil nucleotide/cysteinyl leukotriene receptor	94.63%	80.33%
CHEMBL253	P34972	Cannabinoid CB2 receptor	93.76%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.76%	91.11%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	92.44%	92.86%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	92.43%	100.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	91.77%	94.45%
CHEMBL2123	P51582	Pyrimidinergic receptor P2Y4	91.14%	93.39%
CHEMBL3401	O75469	Pregnane X receptor	90.76%	94.73%
CHEMBL226	P30542	Adenosine A1 receptor	89.71%	95.93%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.78%	99.23%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	85.49%	96.00%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	85.46%	94.33%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	85.33%	86.92%
CHEMBL1806	P11388	DNA topoisomerase II alpha	84.60%	89.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	83.95%	97.09%
CHEMBL3359	P21462	Formyl peptide receptor 1	83.93%	93.56%
CHEMBL5163	Q9NY46	Sodium channel protein type III alpha subunit	83.29%	96.90%
CHEMBL5043	Q6P179	Endoplasmic reticulum aminopeptidase 2	82.38%	91.81%
CHEMBL5925	P22413	Ectonucleotide pyrophosphatase/phosphodiesterase family member 1	80.88%	92.38%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	80.66%	90.71%
CHEMBL1293294	P51151	Ras-related protein Rab-9A	80.51%	87.67%
CHEMBL3392948	Q9NP59	Solute carrier family 40 member 1	80.45%	95.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 16048612
• LOTUS: LTS0179384
• wikiData: Q27102611