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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > ion > cation > organic cation > 1,3-thiazolium cation > 3-carboxy-1-hydroxypropylthiamine diphosphate
... > chemical entity > molecular entity > ion > organic ion > organic cation > 1,3-thiazolium cation > 3-carboxy-1-hydroxypropylthiamine diphosphate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic cation > 1,3-thiazolium cation > 3-carboxy-1-hydroxypropylthiamine diphosphate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > organosulfur heterocyclic compound > thiazoles > 1,3-thiazoles > 1,3-thiazolium cation > 3-carboxy-1-hydroxypropylthiamine diphosphate
... > organic heterocyclic compound > organosulfur heterocyclic compound > thiazoles > 1,3-thiazoles > 1,3-thiazolium cation > 3-carboxy-1-hydroxypropylthiamine diphosphate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > azole > thiazoles > 1,3-thiazoles > 1,3-thiazolium cation > 3-carboxy-1-hydroxypropylthiamine diphosphate
... > organic heterocyclic compound > organonitrogen heterocyclic compound > azole > thiazoles > 1,3-thiazoles > 1,3-thiazolium cation > 3-carboxy-1-hydroxypropylthiamine diphosphate
... > organic aromatic compound > heteroarene > monocyclic heteroarene > azole > thiazoles > 1,3-thiazoles > 1,3-thiazolium cation > 3-carboxy-1-hydroxypropylthiamine diphosphate
... > organic heterocyclic compound > heteroarene > monocyclic heteroarene > azole > thiazoles > 1,3-thiazoles > 1,3-thiazolium cation > 3-carboxy-1-hydroxypropylthiamine diphosphate

Preferred term

3-carboxy-1-hydroxypropylthiamine diphosphate  

Type

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

Broader concept

charge

  • +1

formula

  • C16H26N4O10P2S

has_role

inchi

  • InChI=1S/C16H24N4O10P2S/c1-9-13(5-6-29-32(27,28)30-31(24,25)26)33-16(12(21)3-4-14(22)23)20(9)8-11-7-18-10(2)19-15(11)17/h7,12,21H,3-6,8H2,1-2H3,(H5-,17,18,19,22,23,24,25,26,27,28)/p+1

inchikey

  • ZWUKRGPVMMTMAF-UHFFFAOYSA-O

mass

  • 527.40418

monoisotopicmass

  • 527.07611

smiles

  • Cc1ncc(C[n+]2c(C)c(CCOP(O)(=O)OP(O)(O)=O)sc2C(O)CCC(O)=O)c(N)n1

subset

  • 3_STAR

synonym EXACT

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

synonym RELATED

  • 2-(3-carboxy-1-hydroxypropyl)thiamine diphosphate
  • 3-Carboxy-1-hydroxypropyl-ThPP

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:1463

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