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name Structure Reference Source Properties Activities Metabolism

{[3-fluoro-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}phosphonic acid

AlkaPlorer ID: AK028217

Synonym: None

IUPAC Name: [(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate

Structure

SMILES: CC1=CN([C@H]2C[C@H](F)[C@@H](COP(=O)(O)O)O2)C(=O)N=C1O

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InChI: 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

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InChIKey: GGCAVPJXJISBOA-XLPZGREQSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Streptomyces albus Streptomyces Streptomycetaceae Kitasatosporales Actinomycetes Actinomycetota None Bacteria

Properties Information

Molecule Weight: 324.201

TPSA？: 131.11

MolLogP？: -0.0077800000000002

Number of H-Donors: 3

Number of H-Acceptors: 7

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Mycobacterium tuberculosis Thymidylate kinase Km 30000.0 nM 10.1016/s0960-894x(02)00551-6
Mycobacterium tuberculosis Thymidylate kinase Km 30000.0 nM 10.1016/s0960-894x(03)00643-7
Mycobacterium tuberculosis Thymidylate kinase Vm 0.11 uM min-1 (mg of protein)-1 10.1016/s0960-894x(02)00551-6

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT015089 Cc1cn([C@H]2C[C@H](F)[C@@H](CO)O2)c(=O)[nH]c1=O>>Cc1cn([C@H]2C[C@H](F)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O enzymemap_44144
AKRT015090 Cc1cn([C@H]2C[C@H](F)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>Cc1cn([C@H]2C[C@H](F)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O None
AKRT015091 Cc1cn([C@H]2C[C@H](F)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O>>Cc1cn([C@H]2C[C@H](F)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O enzymemap_48277