ANP

PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER

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

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1,201 entries where ANP is found as a standalone ligand22 entries where ANP is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	4
Bond Count	50
Aromatic Bond Count	10

2D diagram of ANP

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Chemical Component Summary
Name	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Systematic Name (OpenEye OEToolkits)	[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid
Formula	C₁₀ H₁₇ N₆ O₁₂ P₃
Molecular Weight	506.196
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
SMILES	CACTVS	3.370	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
SMILES	OpenEye OEToolkits	1.7.0	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
Canonical SMILES	CACTVS	3.370	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N
InChI	InChI	1.03	InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKey	InChI	1.03	PVKSNHVPLWYQGJ-KQYNXXCUSA-N

Related Resource References

Resource Name	Reference
PubChem	33113
ChEMBL	CHEMBL1230989
ChEBI	CHEBI:47785

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