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poly(I:C)   Click here for help

GtoPdb Ligand ID: 5047

Synonyms: polyinosine-polycytosine | polyinosine:polycytidylic acid
Compound class: Synthetic organic
Comment: A polynucleotide consisting of inosine and cytosine subunits. The structure represented here shows the two subunits
2D Structure
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2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

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SMILES / InChI / InChIKey
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SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

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Canonical SMILES OC1C(O)C(OC1n1cnc2c1[nH]cnc2=O)COP(=O)(O)O.Nc1ccn(c(=O)n1)C1OC(C(C1O)O)COP(=O)(O)O
Isomeric SMILES OC1C(O)C(OC1n1cnc2c1[nH]cnc2=O)COP(=O)(O)O.Nc1ccn(c(=O)n1)C1OC(C(C1O)O)COP(=O)(O)O
InChI InChI=1S/C10H13N4O8P.C9H14N3O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20);1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)
InChI Key ACEVNMQDUCOKHT-UHFFFAOYSA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
{[3,4-dihydroxy-5-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid; {[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
Synonyms Click here for help
polyinosine-polycytosine | polyinosine:polycytidylic acid
Database Links Click here for help
CAS Registry No. 24939-03-5
GtoPdb PubChem SID 178101742
PubChem CID 135478809
Search Google for chemical match using the InChIKey ACEVNMQDUCOKHT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ACEVNMQDUCOKHT
UniChem Compound Search for chemical match using the InChIKey ACEVNMQDUCOKHT-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ACEVNMQDUCOKHT-UHFFFAOYSA-N
Wikipedia Polyinosinic:polycytidylic_acid