FDM

3'-FLUORO-3'-DEOXYTHYMIDINE MONOPHOSPHATE

Created:	2003-01-14
Last modified:	2021-03-13

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2 entries where FDM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	3
Bond Count	36
Aromatic Bond Count	6

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Chemical Component Summary
Name	3'-FLUORO-3'-DEOXYTHYMIDINE MONOPHOSPHATE
Synonyms	PHOSPHORIC ACID MONO-[3-FLUORO-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-TETRAHYRO-FURAN-2-YLMETHYL] ESTER
Systematic Name (OpenEye OEToolkits)	[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Formula	C₁₀ H₁₄ F N₂ O₇ P
Molecular Weight	324.2
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1NC(=O)N(C=C1C)C2OC(C(F)C2)COP(=O)(O)O
SMILES	CACTVS	3.341	CC1=CN([CH]2C[CH](F)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O
SMILES	OpenEye OEToolkits	1.5.0	CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)F
Canonical SMILES	CACTVS	3.341	CC1=CN([C@H]2C[C@H](F)[C@@H](CO[P](O)(O)=O)O2)C(=O)NC1=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)F
InChI	InChI	1.03	InChI=1S/C10H14FN2O7P/c1-5-3-13(10(15)12-9(5)14)8-2-6(11)7(20-8)4-19-21(16,17)18/h3,6-8H,2,4H2,1H3,(H,12,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
InChIKey	InChI	1.03	GGCAVPJXJISBOA-XLPZGREQSA-N

Drug Info: DrugBank

DrugBank ID	DB03195
Name	3'-Fluoro-3'-deoxythymidine 5'-monophosphate
Groups	experimental
Synonyms	3'-Fluoro-3'-deoxythymidine 5'-phosphate 3'-Fluoro-3'-deoxythymidine 5'-monophosphate 5'-Thymidylic acid, 3'-deoxy-3'-fluoro- 3'-Deoxy-3'-fluorothymidine monophosphate
CAS number	25520-83-6

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Thymidylate kinase	MAARRGALIVLEGVDRAGKSTQSRKLVEALCAAGHRAELLRFPERSTEIG...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682