STP

2'-DEOXYADENOSINE 5'-O-(1-THIOTRIPHOSPHATE)

Created:	1999-07-08
Last modified:	2011-06-04

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7 entries where STP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	0
Bond Count	48
Aromatic Bond Count	10

2D diagram of STP

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Chemical Component Summary
Name	2'-DEOXYADENOSINE 5'-O-(1-THIOTRIPHOSPHATE)
Systematic Name (OpenEye OEToolkits)	[[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphinothioyl] phosphono hydrogen phosphate
Formula	C₁₀ H₁₆ N₅ O₁₁ P₃ S
Molecular Weight	507.247
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OP(=O)(O)OP(=S)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O
SMILES	CACTVS	3.341	Nc1ncnc2n(cnc12)C3CC(O)C(CO[P](O)(=S)O[P](O)(=O)O[P](O)(O)=O)O3
SMILES	OpenEye OEToolkits	1.5.0	c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=S)(O)OP(=O)(O)OP(=O)(O)O)O)N
Canonical SMILES	CACTVS	3.341	Nc1ncnc2n(cnc12)C3CC(O)C(CO[P@@](O)(=S)O[P@@](O)(=O)O[P](O)(O)=O)O3
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1nc(c2c(n1)n(cn2)[C@H]3C[C@H]([C@@H](O3)CO[P@](=S)(O)O[P@](=O)(O)OP(=O)(O)O)O)N
InChI	InChI	1.03	InChI=1S/C10H16N5O11P3S/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(24-7)2-23-29(22,30)26-28(20,21)25-27(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,30)(H2,11,12,13)(H2,17,18,19)/t5?,6?,7?,29-/m1/s1
InChIKey	InChI	1.03	CCPIKNHZOWQALM-XZPDCLKESA-N

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