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Concept information

Preferred term

(Sp) 8 Br cGMPS  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C10H11BrN5O6PS

has_functional_parent

inchi

  • InChI=1S/C10H11BrN5O6PS/c11-9-13-3-6(14-10(12)15-7(3)18)16(9)8-4(17)5-2(21-8)1-20-23(19,24)22-5/h2,4-5,8,17H,1H2,(H,19,24)(H3,12,14,15,18)/t2-,4-,5-,8-,23+/m1/s1

inchikey

  • KRYIOQOBMVFLBO-JXGIQVKMSA-N

mass

  • 440.16700

monoisotopicmass

  • 438.93510

smiles

  • Nc1nc2n([C@@H]3O[C@@H]4CO[P@@](S)(=O)O[C@H]4[C@H]3O)c(Br)nc2c(=O)[nH]1

subset

  • 3_STAR

synonym EXACT

  • 2-amino-8-bromo-9-[(2S,4aR,6R,7R,7aS)-7-hydroxy-2-oxo-2-sulfanyltetrahydro-2H,4H-2lambda(5)-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:84641

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