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Concept information

Preferred term

n-ethylsuccinimide-mycothiol conjugate  

Type

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

Broader concept

charge

  • 0

formula

  • C23H37N3O14S

has_functional_parent

inchi

  • InChI=1S/C23H37N3O14S/c1-3-26-11(29)4-10(22(26)38)41-6-8(24-7(2)28)21(37)25-12-14(31)13(30)9(5-27)39-23(12)40-20-18(35)16(33)15(32)17(34)19(20)36/h8-10,12-20,23,27,30-36H,3-6H2,1-2H3,(H,24,28)(H,25,37)/t8-,9+,10?,12+,13+,14+,15-,16-,17+,18+,19+,20-,23+/m0/s1

inchikey

  • YFFJOSWPXOIETK-UQQPXVIBSA-N

mass

  • 611.61700

monoisotopicmass

  • 611.19962

smiles

  • CCN1C(=O)CC(SC[C@H](NC(C)=O)C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)C1=O

subset

  • 3_STAR

synonym EXACT

  • 1-O-(2-{[N-acetyl-S-(1-ethyl-2,5-dioxopyrrolidin-3-yl)-L-cysteinyl]amino}-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:59629

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