FTU

5-fluorotubercidin

Created:	2018-03-24
Last modified:	2018-04-18

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1 entries where FTU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	4
Bond Count	35
Aromatic Bond Count	10

2D diagram of FTU

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Chemical Component Summary
Name	5-fluorotubercidin
Systematic Name (OpenEye OEToolkits)	(2~{R},3~{R},4~{S},5~{R})-2-(4-azanyl-5-fluoranyl-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Formula	C₁₁ H₁₃ F N₄ O₄
Molecular Weight	284.244
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1ncnc2n(cc(F)c12)[CH]3O[CH](CO)[CH](O)[CH]3O
SMILES	OpenEye OEToolkits	2.0.6	c1c(c2c(ncnc2n1C3C(C(C(O3)CO)O)O)N)F
Canonical SMILES	CACTVS	3.385	Nc1ncnc2n(cc(F)c12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)F
InChI	InChI	1.03	InChI=1S/C11H13FN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1
InChIKey	InChI	1.03	KRRZKBNCONNKPI-IOSLPCCCSA-N

Related Resource References

Resource Name	Reference
PubChem	11277569
CCDC/CSD	BIZQAD
COD	2016595

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.