Glucoalyssin

CAS Registry Number®

499-37-6

CAS Name

Glucoalyssin

Molecular Formula

C13H25NO10S3

Molecular Mass

451.53

Cite this Page

Glucoalyssin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=499-37-6 (retrieved 2024-11-22) (CAS RN: 499-37-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H25NO10S3/c1-26(19)6-4-2-3-5-9(14-24-27(20,21)22)25-13-12(18)11(17)10(16)8(7-15)23-13/h8,10-13,15-18H,2-7H2,1H3,(H,20,21,22)/t8-,10-,11+,12-,13+,26?/m1/s1

InChIKey

InChIKey=HUCGRJSHMZWRQQ-LJBAHSCYSA-N

SMILES

S(C(CCCCCS(C)=O)=NOS(=O)(=O)O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Canonical SMILES

O=S(C)CCCCCC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranose, 1-thio-, 1-[6-(methylsulfinyl)-N-(sulfooxy)hexanimidate]
  • Glucopyranose, 1-thio-, 1-[6-(methylsulfinyl)hexanohydroximate] NO-(hydrogen sulfate), β-D-
  • Glucoalyssin
  • 5-Methylsulfinylpentyl glucosinolate
  • Glucoalyssinin

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