UCSF

ZINC01678872

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 21 No

Popular Name: 5-Thymidylic acid 5-Thymidylic acid

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CAS Numbers: 33430-62-5 , 3372-09-6 , 365-07-1 , [33430-62-5]

Other Names:

(dT)1; 5'-TMP; 5-methyl-dUMP; TMP; deoxyribosylthymine monophosphate; thymidine 5'-(dihydrogen phosphate); thymidine 5'-phosphoric acid; thymidine-5'-monophosphoric acid

2'-Deoxythymidine 5'-monophosphate

2'-Deoxythymidine 5'-monophosphate; 5'-dTMP; 5'-Thymidylate; 5'-Thymidylic acid; 5'-TMP; 5-Methyl-dUMP; Deoxy TMP; Deoxyribosylthymine monophosphate; Deoxythymidine 5'-monophosphate; Deoxythymidine 5'-phosphate; Deoxythymidine monophosphate; Deoxythymidyl

2'-Deoxythymidine 5'-monophosphate; 5'-TMP; 5'-Thymidylate; 5'-Thymidylic acid; 5'-dTMP; 5-Methyl-dUMP; Deoxy TMP; Deoxyribosylthymine monophosphate; Deoxythymidine 5'-monophosphate; Deoxythymidine 5'-phosphate; Deoxythymidine monophosphate; Deoxythymidyl

2'-Deoxythymidine 5'-monophosphate; 5'-TMP; 5'-Thymidylic acid; 5'-dTMP; 5-Methyl-dUMP; Deoxy TMP; Deoxyribosylthymine monophosphate; Deoxythymidine 5'-monophosphate; Deoxythymidine 5'-phosphate; Deoxythymidine monophosphate; Deoxythymidylic acid; Deoxyth

2'-Deoxythymidine 5'-monophosphate; 5-Methyl-dUMP; 5'-dTMP; 5'-Thymidylate; 5'-Thymidylic acid; 5'-TMP; Deoxy TMP; Deoxyribosylthymine monophosphate; Deoxythymidine 5'-monophosphate; Deoxythymidine 5'-phosphate; Deoxythymidine monophosphate; Deoxythymidyl

2'-Deoxythymidine 5'-monophosphate;5'-dTMP;5'-Thymidylate;5'-Thymidylic acid;5'-TMP;5-Methyl-dUMP;Deoxy TMP;Deoxyribosylthymine monophosphate;Deoxythymidine 5'-monophosphate;Deoxythymidine 5'-phosphate;Deoxythymidine monophosphate;Deoxythymidylate;Deoxyth

2'-Deoxythymidine 5'-monophosphate;5'-TMP;5'-Thymidylate;5'-Thymidylic acid;5'-dTMP;5-Methyl-dUMP;Deoxy TMP;Deoxyribosylthymine monophosphate;Deoxythymidine 5'-monophosphate;Deoxythymidine 5'-phosphate;Deoxythymidine monophosphate;Deoxythymidylate;Deoxyth

2'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, DISODIUM SALT

3'-Thymidylic acid

3'-Tmp

365-07-1; 5'-Thymidylic acid; C00364; Deoxythymidine 5'-phosphate; Deoxythymidylic acid; Thymidine 5'-phosphate; Thymidine monophosphate; Thymidylate; Thymidylic acid; dTMP

365-07-1; 5'-Thymidylic acid; Deoxythymidine 5'-phosphate; Deoxythymidylic acid; TMP; Thymidylate; dTMP; deoxythymidylate; thymidine monophosphate; thymidine-5'-monophosphate; thymidine-5'-phosphate; thymidine-phosphate; thymidylic acid

5'-dTMP

5'-Thymidylic acid

5'-Thymidylic acid calcium salt

5'-Thymidylic acid disodium salt

5'-Thymidylic acid, homopolymer; 5'-Thymidylic acid, polymers; LS-153795; Poly T; Poly(T); Poly(dT); Polydeoxyribothymidylic acid; Polydeoxythymidylic acid; Polythymidine; Polythymidylic acid; Thymidylic acid polymer

5'-TMP

5-Methyl-dUMP

CHEBI:26999

CHEBI:45926; CHEBI:46036; CHEBI:46013; CHEBI:47711; CHEBI:10529; CHEBI:45759; CHEBI:45762; CHEBI:45772; CHEBI:14092; CHEBI:15246; CHEBI:63549

Deoxy TMP

Deoxyribosylthymine monophosphate

Deoxythymidine 5'-monophosphate

Deoxythymidine 5'-phosphate

Deoxythymidine monophosphate

Deoxythymidine phosphate

Deoxythymidylic acid

Deoxythymydilic acid

DPT

DTMP

dTMP(-)

dTMP(2-)

MFCD00023797

MFCD00069765

MFCD09039259

Octothymidylate

Poly t

Poly(DT)

Poly(t)

Polydeoxyribothymidylic acid

Polydeoxythymidylic acid

Polythymidine

Polythymidylic acid

SS-9661

Thymidine 5'-(dihydrogen phosphate)

thymidine 5'-(hydrogen phosphate); thymidine 5'-phosphate(1-)

Thymidine 5'-Monophosphate Disodium Salt Hydrate

Thymidine 5'-phosphate

Thymidine 5'-phosphoric acid

Thymidine 5'MP

Thymidine mononucleotide

Thymidine monophosphate

Thymidine phosphate

Thymidine-5'-Monophosphate

Thymidine-5'-monophosphate disodium salt

Thymidine-5'-monophosphate, disodium salt

Thymidine-5'-monophosphate,Disodium Salt

Thymidine-5'-monophosphoric acid

Thymidine-5'-Phosphate

Thymidylate

Thymidylic acid

Thymidylic acid polymer

TMP

TMP dianion; ribothymidine 5'-monophosphate anion

[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)oxolan-2-yl]methoxyphosphonic acid

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.10 -5.78 -152.67 2 10 -2 156 320.194 4 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links 5DNU_ECOLI; 5NTD_PSEAE; CMPK2_HUMAN; CMPK2_MOUSE; DCHM_BPT2; DCHM_BPT4; DCHM_BPT6; DCTD_BPT2; DCTD_BPT4; DCTD_CAEEL; DCTD_DROME; DCTD_HUMAN; DCTD_MOUSE; DCTD_PONAB; DCTD_RAT; DCTD_SCHPO; DCTD_YEAST; DNMK_BPR69; DNMK_BPT4; DRTS1_ARATH; DRTS2_ARATH; DRTS_CR ChEBI
UniProt Database Links 5DNU_ECOLI; CMPK2_HUMAN; CMPK2_MOUSE; DCHM_BPT2; DCHM_BPT4; DCHM_BPT6; DCTD_BPT2; DCTD_BPT4; DCTD_CAEEL; DCTD_DROME; DCTD_HUMAN; DCTD_MOUSE; DCTD_PONAB; DCTD_RAT; DCTD_SCHPO; DCTD_YEAST; DNMK_BPR69; DNMK_BPT4; DRTS1_ARATH; DRTS2_ARATH; DRTS_CRIFA; DRTS_DA ChEBI
ALOGPS_SOLUBILITY 6.78e+00 g/l DrugBank-experimental
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0155705A2; EP0306605A1; EP0318464A2; EP0318464B1; EP0344937A2; EP0344937B1; EP0891373A1; US4562275; US4594418; US5093244; US5369097; US5519126; US5852001; WO1989009221A1; WO1998028321A1 IBM Patent Data
Reactome Database Links REACT_1172; REACT_1236; REACT_1389; REACT_1679; REACT_1691; REACT_273; REACT_358; REACT_437; REACT_636; REACT_982 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYSY-1-E Thymidylate Synthase (cluster #1 Of 3), Eukaryotic Eukaryotes 7300 0.34 Binding ≤ 10μM
KTHY-1-B Thymidylate Kinase (cluster #1 Of 1), Bacterial Bacteria 4500 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KTHY_MYCTU O05891 Thymidylate Kinase, Myctu 4500 0.36 Binding ≤ 10μM
TYSY_MOUSE P07607 Thymidylate Synthase, Mouse 7300 0.34 Binding ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
Pyrimidine biosynthesis
Pyrimidine catabolism
Pyrimidine salvage reactions
Regulation by TREX1
Synthesis and interconversion of nucleotide di- and triphosphates

Reactome Annotations from Targets (via Uniprot)

Description Species
E2F mediated regulation of DNA replication
G1/S-Specific Transcription
Pyrimidine biosynthesis

Analogs ( Draw Identity 99% 90% 80% 70% )