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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > ion > anion > polyatomic anion > oxoanion > carboxylic acid anion > carbohydrate acid derivative anion > trans-3-hydroxycotinine beta-d-glucuronide(1-)
... > chemical entity > molecular entity > ion > polyatomic ion > polyatomic anion > oxoanion > carboxylic acid anion > carbohydrate acid derivative anion > trans-3-hydroxycotinine beta-d-glucuronide(1-)
... > chemical entity > molecular entity > polyatomic entity > polyatomic ion > polyatomic anion > oxoanion > carboxylic acid anion > carbohydrate acid derivative anion > trans-3-hydroxycotinine beta-d-glucuronide(1-)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxide > oxoanion > carboxylic acid anion > carbohydrate acid derivative anion > trans-3-hydroxycotinine beta-d-glucuronide(1-)
... > chemical entity > molecular entity > ion > anion > organic anion > carboxylic acid anion > carbohydrate acid derivative anion > trans-3-hydroxycotinine beta-d-glucuronide(1-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > carboxylic acid anion > carbohydrate acid derivative anion > trans-3-hydroxycotinine beta-d-glucuronide(1-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > carboxylic acid anion > carbohydrate acid derivative anion > trans-3-hydroxycotinine beta-d-glucuronide(1-)

Preferred term

trans-3-hydroxycotinine beta-d-glucuronide(1-)  

Type

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

Broader concept

charge

  • -1

formula

  • C16H19N2O8

inchi

  • InChI=1S/C16H20N2O8/c1-18-8(7-3-2-4-17-6-7)5-9(14(18)22)25-16-12(21)10(19)11(20)13(26-16)15(23)24/h2-4,6,8-13,16,19-21H,5H2,1H3,(H,23,24)/p-1/t8-,9+,10-,11-,12+,13-,16+/m0/s1

inchikey

  • WALNNKZUGHYSCT-MGKNELHOSA-M

is_conjugate_base_of

mass

  • 367.331

monoisotopicmass

  • 367.11469

smiles

  • O1[C@H](C([O-])=O)[C@H]([C@H](O)[C@H]([C@@H]1O[C@@H]2C[C@H](N(C)C2=O)C=3C=NC=CC3)O)O

subset

  • 3_STAR

synonym EXACT

  • (3R,5S)-1-methyl-2-oxo-5-(pyridin-3-yl)pyrrolidin-3-yl beta-D-glucopyranosiduronate

synonym RELATED

  • 3-hydroxycotinine glucuronide
  • 3-hydroxycotinine glucuronide(1-)

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:133205

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