ACK

2',3'- cyclic AMP

Created:	2006-06-16
Last modified:	2017-12-13

Find Related PDB Entry
7 entries where ACK is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	4
Bond Count	37
Aromatic Bond Count	10

2D diagram of ACK

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2',3'- cyclic AMP
Systematic Name (OpenEye OEToolkits)	[(3~{a}~{R},4~{R},6~{R},6~{a}~{R})-4-(6-aminopurin-9-yl)-2-oxidanyl-2-oxidanylidene-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol
Formula	C₁₀ H₁₂ N₅ O₆ P
Molecular Weight	329.206
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH]4O[P](O)(=O)O[CH]34
SMILES	OpenEye OEToolkits	2.0.6	c1nc(c2c(n1)n(cn2)C3C4C(C(O3)CO)OP(=O)(O4)O)N
Canonical SMILES	CACTVS	3.385	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@H]4O[P](O)(=O)O[C@@H]34
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)O)N
InChI	InChI	1.03	InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)19-10)20-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKey	InChI	1.03	KMYWVDDIPVNLME-KQYNXXCUSA-N

Related Resource References

Resource Name	Reference
PubChem	101812
ChEBI	CHEBI:27844

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.