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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > organosulfur heterocyclic compound > benzothiazoles > e3040 glucuronide
organic heterocyclic compound > organosulfur heterocyclic compound > benzothiazoles > e3040 glucuronide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > benzothiazoles > e3040 glucuronide
organic heterocyclic compound > organonitrogen heterocyclic compound > benzothiazoles > e3040 glucuronide
organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzothiazoles > e3040 glucuronide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > pyridines > e3040 glucuronide
organic heterocyclic compound > organonitrogen heterocyclic compound > pyridines > e3040 glucuronide
organic heterocyclic compound > organic heteromonocyclic compound > pyridines > e3040 glucuronide
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > carbohydrate acid derivative > glucosiduronic acid > beta-d-glucosiduronic acid > e3040 glucuronide
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > glycosiduronic acid > glucosiduronic acid > beta-d-glucosiduronic acid > e3040 glucuronide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > secondary amino compound > e3040 glucuronide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > secondary amino compound > e3040 glucuronide

Preferred term

e3040 glucuronide  

Type

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

Broader concept

charge

  • 0

formula

  • C22H25N3O7S

has_functional_parent

has_role

inchi

  • InChI=1S/C22H25N3O7S/c1-9-12(7-11-5-4-6-24-8-11)13-19(33-22(23-3)25-13)10(2)17(9)31-21-16(28)14(26)15(27)18(32-21)20(29)30/h4-6,8,14-16,18,21,26-28H,7H2,1-3H3,(H,23,25)(H,29,30)/t14-,15-,16+,18-,21+/m0/s1

inchikey

  • RJBKVKVYNJTHJS-DQSYDGHTSA-N

is_conjugate_acid_of

mass

  • 475.520

monoisotopicmass

  • 475.14132

smiles

  • CNC1=NC2=C(C(C)=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C(C)=C2S1)CC4=CN=CC=C4

subset

  • 3_STAR

synonym EXACT

  • 5,7-dimethyl-2-(methylamino)-4-(pyridin-3-ylmethyl)-1,3-benzothiazol-6-yl beta-D-glucopyranosiduronic acid
  • E3040 glucuronide

synonym RELATED

  • 2-(methylamino)-5,7-dimethyl-4-(3-pyridinylmethyl)benzothiazole-6-yl beta-D-glucopyranosiduronic acid
  • E-3040 glucuronide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:4733

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