NG3

3'-amino-2',3'-dideoxyguanosine 5'-(tetrahydrogen triphosphate)

Created:	2019-10-25
Last modified:	2021-03-01

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1 entries where NG3 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	3
Bond Count	50
Aromatic Bond Count	5

2D diagram of NG3

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Chemical Component Summary
Name	3'-amino-2',3'-dideoxyguanosine 5'-(tetrahydrogen triphosphate)
Synonyms	3'-amino-dGTP
Systematic Name (OpenEye OEToolkits)	[[(2~{S},3~{S},5~{R})-3-azanyl-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
Formula	C₁₀ H₁₇ N₆ O₁₂ P₃
Molecular Weight	506.196
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C=2(N)Nc1n(cnc1C(N=2)=O)C3CC(N)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O3
SMILES	CACTVS	3.385	N[CH]1C[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)n2cnc3C(=O)N=C(N)Nc23
SMILES	OpenEye OEToolkits	2.0.7	c1nc2c(n1C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N)NC(=NC2=O)N
Canonical SMILES	CACTVS	3.385	N[C@H]1C[C@@H](O[C@@H]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)n2cnc3C(=O)N=C(N)Nc23
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N)NC(=NC2=O)N
InChI	InChI	1.03	InChI=1S/C10H17N6O12P3/c11-4-1-6(16-3-13-7-8(16)14-10(12)15-9(7)17)26-5(4)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6H,1-2,11H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,12,14,15,17)/t4-,5+,6+/m0/s1
InChIKey	InChI	1.03	ILTYANYMUGEMNF-KVQBGUIXSA-N

Related Resource References

Resource Name	Reference
PubChem	14377330, 136364742

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