IGU

2'-DEOXYISOGUANINE-5'-MONOPHOSPHATE

Created:	1999-07-08
Last modified:	2016-11-16

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1 entries where IGU is found as a standalone ligand24 entries where IGU is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	3
Bond Count	39
Aromatic Bond Count	0

2D diagram of IGU

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Chemical Component Summary
Name	2'-DEOXYISOGUANINE-5'-MONOPHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(2R,3S,5R)-5-(6-azanyl-2-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
Formula	C₁₀ H₁₄ N₅ O₇ P
Molecular Weight	347.221
Type	DNA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	P(=O)(O)(O)OCC1OC(CC1O)N2C=NC3=C(N)NC(=O)N=C23
SMILES	CACTVS	3.385	NC1=C2N=CN([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)C2=NC(=O)N1
SMILES	OpenEye OEToolkits	1.7.6	C1C(C(OC1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)(O)O)O
Canonical SMILES	CACTVS	3.385	NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3)C2=NC(=O)N1
Canonical SMILES	OpenEye OEToolkits	1.7.6	C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)(O)O)O
InChI	InChI	1.03	InChI=1S/C10H14N5O7P/c11-8-7-9(14-10(17)13-8)15(3-12-7)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
InChIKey	InChI	1.03	GEQDRKVFKBSPSW-KVQBGUIXSA-N

Related Resource References

Resource Name	Reference
PubChem	6323381, 5288613
ChEBI	CHEBI:63211

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