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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 > bacillithiol(1-)
... > chemical entity > molecular entity > ion > polyatomic ion > polyatomic anion > oxoanion > carboxylic acid anion > carbohydrate acid derivative anion > bacillithiol(1-)
... > chemical entity > molecular entity > polyatomic entity > polyatomic ion > polyatomic anion > oxoanion > carboxylic acid anion > carbohydrate acid derivative anion > bacillithiol(1-)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxide > oxoanion > carboxylic acid anion > carbohydrate acid derivative anion > bacillithiol(1-)
... > chemical entity > molecular entity > ion > anion > organic anion > carboxylic acid anion > carbohydrate acid derivative anion > bacillithiol(1-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > carboxylic acid anion > carbohydrate acid derivative anion > bacillithiol(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 > bacillithiol(1-)

Preferred term

bacillithiol(1-)  

Type

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

Broader concept

charge

  • -1

formula

  • C13H21N2O10S

inchi

  • InChI=1S/C13H22N2O10S/c14-4(3-26)11(21)15-8-10(20)9(19)6(2-16)25-13(8)24-5(12(22)23)1-7(17)18/h4-6,8-10,13,16,19-20,26H,1-3,14H2,(H,15,21)(H,17,18)(H,22,23)/p-1/t4-,5-,6+,8+,9+,10+,13-/m0/s1

inchikey

  • UHNHELGKNQMNGF-AOQKXWSCSA-M

is_conjugate_base_of

mass

  • 397.37800

monoisotopicmass

  • 397.09224

smiles

  • [NH3+][C@@H](CS)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H](CC([O-])=O)C([O-])=O

subset

  • 3_STAR

synonym EXACT

  • (2S)-2-[(2-{[(2R)-2-ammonio-3-sulfanylpropanoyl]amino}-2-deoxy-alpha-D-glucopyranosyl)oxy]butanedioate

synonym RELATED

  • bacillithiol
  • BSH

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:64876

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