PRD_002431

Summary

Name:	Cyclic tetraadenosine monophosphate (cA4)
Formula:	C40 H48 N20 O24 P4
Fomular weight:	1316.824
Component type:	peptide-like
Polymer sequences:	A, A, A, A
Non-polymer components:
BIRD class:	Antiviral
Represented as:	polymer
Compound Details:	CRISPR-Cas systems provide bacteria with adaptive immunity against bacteriophages. Cyclic oligoadenylate signaling was found to be essential for the type III system against the jumbo phage.
Description:	Cyclic oligoadenylates such as c-tetraAMP were found to be novel bacterial second messengers. Antiviral in context of signalling for Type III CRISPR-Cas systems.

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES_CANONICAL	CACTVS	3.385	Nc1ncnc2n(cnc12)[C@@H]3O[C@@H]4CO[P](O)(=O)O[C@H]5[C@@H](O)[C@@H](O[C@@H]5CO[P](O)(=O)O[C@H]6[C@@H](O)[C@@H](O[C@@H]6CO[P](O)(=O)O[C@H]7[C@@H](O)[C@@H](O[C@@H]7CO[P](O)(=O)O[C@H]4[C@H]3O)n8cnc9c(N)ncnc89)n%10cnc%11c(N)ncnc%10%11)n%12cnc%13c(N)ncnc%12%13
SMILES	CACTVS	3.385	Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](O[CH]5CO[P](O)(=O)O[CH]6[CH](O)[CH](O[CH]6CO[P](O)(=O)O[CH]7[CH](O)[CH](O[CH]7CO[P](O)(=O)O[CH]4[CH]3O)n8cnc9c(N)ncnc89)n%10cnc%11c(N)ncnc%10%11)n%12cnc%13c(N)ncnc%12%13
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O[C@@H]6[C@@H](COP(=O)(O[C@@H]7[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]7O)n8cnc9c8ncnc9N)O)O[C@H]([C@@H]6O)n1cnc2c1ncnc2N)O)O[C@H]([C@@H]5O)n1cnc2c1ncnc2N)O)O)N
SMILES	OpenEye OEToolkits	2.0.7	c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(OC5C(COP(=O)(OC6C(COP(=O)(OC7C(COP(=O)(O4)O)OC(C7O)n8cnc9c8ncnc9N)O)OC(C6O)n1cnc2c1ncnc2N)O)OC(C5O)n1cnc2c1ncnc2N)O)O)N