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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 > thiol > bacillithiol
organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > monosaccharide derivative > bacillithiol
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > bacillithiol

Preferred term

bacillithiol  

Type

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

Broader concept

charge

  • 0

formula

  • C13H22N2O10S

has_role

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)/t4-,5-,6+,8+,9+,10+,13-/m0/s1

inchikey

  • UHNHELGKNQMNGF-AOQKXWSCSA-N

is_conjugate_acid_of

mass

  • 398.38600

monoisotopicmass

  • 398.09952

smiles

  • N[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-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranosyl]oxy}butanedioic acid

synonym RELATED

  • BSH
  • Cys-GlcN-mal

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:61338

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