PDB CCD ID: | A1H28 | ||||||||||
Number of entries in BioLiP: | 1 | ||||||||||
Chemical formula: | C17 H16 Cl N5 O5 S | ||||||||||
InChI: | InChI=1S/C17H16ClN5O5S/c18-9-2-1-7(3-8(9)17(26)27)29-4-10-12(24)13(25)16(28-10)23-6-22-11-14(19)20-5-21-15(11)23/h1-3,5-6,10,12-13,16,24-25H,4H2,(H,26,27)(H2,19,20,21)/t10-,12-,13-,16-/m1/s1 | ||||||||||
InChIKey: | GDDRINPKJGQIPH-XNIJJKJLSA-N | ||||||||||
SMILES: |
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Name: | 5-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]-2-chloranyl-benzoic acid |