skip to main content

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

تیامین (1+) کربوکسیلیک اسید  

Type

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

alt_id

  • CHEBI:15228
  • CHEBI:25749
  • CHEBI:26942
  • CHEBI:9531

charge

  • +1

formula

  • C12H15N4O2S

inchi

  • InChI=1S/C12H14N4O2S/c1-7-10(3-11(17)18)19-6-16(7)5-9-4-14-8(2)15-12(9)13/h4,6H,3,5H2,1-2H3,(H2-,13,14,15,17,18)/p+1

inchikey

  • QNGQHEBFAUOYHC-UHFFFAOYSA-O

mass

  • 279.340

monoisotopicmass

  • 279.09102

smiles

  • CC1=C(CC(O)=O)SC=[N+]1CC1=CN=C(C)N=C1N

subset

  • 3_STAR

synonym EXACT

  • 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(carboxymethyl)-4-methyl-1,3-thiazol-3-ium

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:18306

Download this concept: