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Concept information

organic aromatic compound > aromatic amine > aminopyrimidine > 2-methyl-1-hydroxypropylthiamine diphosphate
organic aromatic compound > aromatic amine > aminopyrimidine > thiamine phosphate > 2-methyl-1-hydroxypropylthiamine diphosphate
organooxygen compound > ester > phosphoric ester > thiamine phosphate > 2-methyl-1-hydroxypropylthiamine diphosphate
... > chemical entity > molecular entity > ion > cation > organic cation > 1,3-thiazolium cation > 2-methyl-1-hydroxypropylthiamine diphosphate
... > chemical entity > molecular entity > ion > organic ion > organic cation > 1,3-thiazolium cation > 2-methyl-1-hydroxypropylthiamine diphosphate

Preferred term

2-methyl-1-hydroxypropylthiamine diphosphate  

Type

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

alt_id

  • CHEBI:29142
  • CHEBI:45938

charge

  • +1

formula

  • C16H27N4O8P2S

inchi

  • InChI=1S/C16H26N4O8P2S/c1-9(2)14(21)16-20(8-12-7-18-11(4)19-15(12)17)10(3)13(31-16)5-6-27-30(25,26)28-29(22,23)24/h7,9,14,21H,5-6,8H2,1-4H3,(H4-,17,18,19,22,23,24,25,26)/p+1

inchikey

  • SSYCSHKTIOHFEZ-UHFFFAOYSA-O

mass

  • 497.42000

monoisotopicmass

  • 497.10194

smiles

  • CC(C)C(O)c1sc(CCOP(O)(=O)OP(O)(O)=O)c(C)[n+]1Cc1cnc(C)nc1N

subset

  • 3_STAR

synonym EXACT

  • 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-hydroxy-2-methylpropyl)-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:48522

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