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Concept information

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

Preferred term

2-(1-hydroxyethyl)thiamine diphosphate  

Type

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

charge

  • +1

formula

  • C14H23N4O8P2S

inchi

  • InChI=1S/C14H22N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)18(8)7-11-6-16-10(3)17-13(11)15/h6,9,19H,4-5,7H2,1-3H3,(H4-,15,16,17,20,21,22,23,24)/p+1

inchikey

  • RRUVJGASJONMDY-UHFFFAOYSA-O

mass

  • 469.36700

monoisotopicmass

  • 469.07064

smiles

  • CC(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-hydroxyethyl)-5-(2-diphosphoethyl)-4-methyl-1,3-thiazol-3-ium

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:978

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