Thymidine-5'-phosphate

Details

• Internal ID: fa01cdc3-3c9b-42b4-8508-cec1b9726fb1
• Taxonomy: Nucleosides, nucleotides, and analogues > Pyrimidine nucleotides > Pyrimidine deoxyribonucleotides > Pyrimidine deoxyribonucleoside monophosphates > Pyrimidine 2-deoxyribonucleoside monophosphates
• IUPAC Name: [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
• SMILES (Canonical): CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O
• SMILES (Isomeric): CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O
• InChI: InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
• InChI Key: GYOZYWVXFNDGLU-XLPZGREQSA-N
• Popularity: 2,970 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₅N₂O₈P
• Molecular Weight: 322.21 g/mol
• Exact Mass: 322.05660244 g/mol
• Topological Polar Surface Area (TPSA): 146.00 Ų
• XlogP: -2.80

Synonyms

• dTMP
• thymidylic acid
• thymidine monophosphate
• thymidine-5'-phosphate
• 5-Methyl-dUMP
• Thymidylate
• 365-07-1
• Thymidine 5'-phosphate
• Thymidine mononucleotide
• Thymidine-5'-monophosphoric acid
• Deoxy TMP
• Thymidine phosphate
• Thymidine 5'-phosphoric acid
• Deoxythymidine monophosphate
• Thymidine 5'-monophosphate
• 5'-TMP
• Deoxythymidine 5'-phosphate
• Deoxyribosylthymine monophosphate
• TMP (nucleotide)
• Deoxythymydilic acid
• 5'-dTMP
• Deoxythymidylic acid
• Deoxythymidine 5'-monophosphate
• thymidine-5'-monophosphate
• 2'-Deoxythymidine 5'-monophosphate
• TMP (VAN)
• Thymidine 5'-(dihydrogen phosphate)
• 5-Thymidylic acid
• NSC 46713
• Thymidine, mono(dihydrogen phosphate) (ester)
• deoxythymidylate
• ribothymidine 5'-monophosphate
• CHEBI:17013
• (dT)1
• CHEMBL394429
• Thymidine 5'MP
• 43W3021X6C
• [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
• 2'-deoxy-5-methyluridine 5'-(dihydrogen phosphate)
• ((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl dihydrogen phosphate
• {[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}phosphonic acid
• Deoxythymidine phosphate
• Deoxythymydilate
• NSC-46713
• UNII-43W3021X6C
• 5'-Thymidylate
• 1tys
• QBT
• thymidine-5''-phosphate
• Thymidine 5'-phosphorate
• bmse000296
• Epitope ID:196259
• SCHEMBL21257
• Thymidine-5'-monophosphorate
• 2'-Deoxythymidine Monophosphate
• 2''-deoxythymidine monophosphate
• DTXSID60904171
• 5'-Thymidylic acid (8CI,9CI)
• THYMIDINE-5''-MONOPHOSPHATE
• BDBM50332929
• DB01643
• C00364
• Q23905769
• ((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-tetrahydrofuran-2-yl)methyl dihydrogen phosphate
• (R)-1-((4S,5R)-4-Hydroxy-5-methylphosphate-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione
• [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
• Phosphoric acid mono-[3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester

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	97.17%	96.09%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	94.65%	86.92%
CHEMBL3230	O95977	Sphingosine 1-phosphate receptor Edg-6	92.13%	94.01%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.49%	97.09%
CHEMBL3401	O75469	Pregnane X receptor	91.37%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.20%	95.56%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	90.33%	85.14%
CHEMBL1075162	Q13304	Uracil nucleotide/cysteinyl leukotriene receptor	89.64%	80.33%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.55%	94.45%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	88.08%	93.04%
CHEMBL2581	P07339	Cathepsin D	86.34%	98.95%
CHEMBL253	P34972	Cannabinoid CB2 receptor	86.09%	97.25%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	86.06%	91.71%
CHEMBL1806	P11388	DNA topoisomerase II alpha	85.91%	89.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.23%	99.23%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	85.12%	100.00%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	84.74%	94.00%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	81.20%	94.33%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.52%	95.89%

Plants that contains it

• Arabidopsis thaliana

Cross-Links

• PubChem: 9700
• LOTUS: LTS0259556
• wikiData: Q23905769