UDP-xylose

Details

• Internal ID: 924a1dd2-8ebc-429a-8b75-52a195ff0040
• Taxonomy: Nucleosides, nucleotides, and analogues > Pyrimidine nucleotides > Pyrimidine ribonucleotides > Pyrimidine ribonucleoside diphosphates
• IUPAC Name: [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl] hydrogen phosphate
• SMILES (Canonical): C1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)O)O)O
• SMILES (Isomeric): C1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O
• InChI: InChI=1S/C14H22N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t5-,6-,8+,9-,10-,11-,12-,13-/m1/s1
• InChI Key: DQQDLYVHOTZLOR-OCIMBMBZSA-N
• Popularity: 135 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₂₂N₂O₁₆P₂
• Molecular Weight: 536.28 g/mol
• Exact Mass: 536.04445661 g/mol
• Topological Polar Surface Area (TPSA): 271.00 Ų
• XlogP: -6.60

Synonyms

• UDP-xylose
• UDP-alpha-D-xylose
• URIDINE DIPHOSPHATE XYLOSE
• URIDINE-5'-DIPHOSPHATE-XYLOPYRANOSE
• 3616-06-6
• UDP-D-xylose
• Uridine 5'-(trihydrogen diphosphate), P'-alpha-D-xylopyranosyl ester
• UDP-ALPHA-D-XYLOPYRANOSE
• uridine 5'-[3-(alpha-D-xylopyranosyl) dihydrogen diphosphate]
• UDX
• I839TB018F
• UDPxylose
• UDP-alpha
• UDP-delta-xylose
• UDP-a-D-xylose
• alpha-d-xylopyranosyl ester
• P1-a-D-xylopyranosyl ester
• Mono-a-D-xylopyranosyl ester
• UNII-I839TB018F
• alpha-delta-xylopyranosyl ester
• GTPL4730
• CHEBI:16082
• DTXSID70863225
• DB01713
• [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl] hydrogen phosphate
• AC-33209
• Uridine 51-pyrophosphate, a-D-xylopyranosyl ester
• J-700264
• Q27089069
• [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)
• {[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[hydroxy({[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy})phosphoryl]oxy})phosphinic acid

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	97.56%	96.09%
CHEMBL226	P30542	Adenosine A1 receptor	95.44%	95.93%
CHEMBL1075162	Q13304	Uracil nucleotide/cysteinyl leukotriene receptor	94.52%	80.33%
CHEMBL2123	P51582	Pyrimidinergic receptor P2Y4	92.33%	93.39%
CHEMBL2581	P07339	Cathepsin D	91.74%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.97%	91.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	88.91%	97.09%
CHEMBL5957	P21589	5'-nucleotidase	88.58%	97.78%
CHEMBL253	P34972	Cannabinoid CB2 receptor	87.99%	97.25%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	87.89%	86.92%
CHEMBL3401	O75469	Pregnane X receptor	83.07%	94.73%
CHEMBL3230	O95977	Sphingosine 1-phosphate receptor Edg-6	82.63%	94.01%
CHEMBL4040	P28482	MAP kinase ERK2	82.14%	83.82%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	81.84%	89.62%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	81.77%	94.00%
CHEMBL3137261	O14744	PRMT5/MEP50 complex	81.03%	100.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	80.96%	89.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.44%	95.89%
CHEMBL255	P29275	Adenosine A2b receptor	80.23%	98.59%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	80.19%	94.45%

Plants that contains it

• Glycine max

Cross-Links

• PubChem: 19235
• LOTUS: LTS0137624
• wikiData: Q27089069