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Chemistry, part 1

Content language

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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > hexoside > glucoside > d-glucoside > 2-deoxy-d-glucoside > 2-deoxy-alpha-d-glucoside > mycothiol s-conjugate > acetophenone-mycothiol conjugate

Preferred term

acetophenone-mycothiol conjugate  

Type

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

Broader concept

charge

  • 0

formula

  • C25H36N2O13S

inchi

  • InChI=1S/C25H36N2O13S/c1-10(29)26-12(8-41-9-13(30)11-5-3-2-4-6-11)24(38)27-15-17(32)16(31)14(7-28)39-25(15)40-23-21(36)19(34)18(33)20(35)22(23)37/h2-6,12,14-23,25,28,31-37H,7-9H2,1H3,(H,26,29)(H,27,38)/t12-,14+,15+,16+,17+,18-,19-,20+,21+,22+,23-,25+/m0/s1

inchikey

  • DCKKWVXFNSLGPY-QSMJRBHPSA-N

mass

  • 604.62400

monoisotopicmass

  • 604.19381

smiles

  • CC(=O)N[C@@H](CSCC(=O)c1ccccc1)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O

subset

  • 3_STAR

synonym EXACT

  • 1-O-(2-{[N-acetyl-S-(2-oxo-2-phenylethyl)-L-cysteinyl]amino}-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol

synonym RELATED

  • (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-{[N-acetyl-S-(2-oxo-2-phenylethyl)-L-cysteinyl]amino}-2-deoxy-alpha-D-glucopyranoside

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:59630

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