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Concept information

Preferred term

بنفوتیامین  

Type

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

alt_id

  • CHEBI:31259

charge

  • 0

formula

  • C19H23N4O6PS

has_functional_parent

inchi

  • InChI=1S/C19H23N4O6PS/c1-13(23(12-24)11-16-10-21-14(2)22-18(16)20)17(8-9-29-30(26,27)28)31-19(25)15-6-4-3-5-7-15/h3-7,10,12H,8-9,11H2,1-2H3,(H2,20,21,22)(H2,26,27,28)

inchikey

  • BTNNPSLJPBRMLZ-UHFFFAOYSA-N

mass

  • 466.44800

monoisotopicmass

  • 466.10759

smiles

  • [H]C(=O)N(Cc1cnc(C)nc1N)C(C)=C(CCOP(O)(O)=O)SC(=O)c1ccccc1

subset

  • 3_STAR

synonym EXACT

  • S-[2-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-5-(phosphonooxy)pent-2-en-3-yl] benzenecarbothioate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:41039

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