Sulfoglucobrassicin

CAS Registry Number®

29702-28-1

CAS Name

Sulfoglucobrassicin

Molecular Formula

C16H20N2O12S3

Molecular Mass

528.53

Cite this Page

Sulfoglucobrassicin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=29702-28-1 (retrieved 2024-11-22) (CAS RN: 29702-28-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H20N2O12S3/c19-7-11-13(20)14(21)15(22)16(29-11)31-12(17-30-33(26,27)28)5-8-6-18(32(23,24)25)10-4-2-1-3-9(8)10/h1-4,6,11,13-16,19-22H,5,7H2,(H,23,24,25)(H,26,27,28)/t11-,13-,14+,15-,16+/m1/s1

InChIKey

InChIKey=JZFQZINWXSEVSO-JZYAIQKZSA-N

SMILES

C(C(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=NOS(=O)(=O)O)C=2C=3C(N(S(=O)(=O)O)C2)=CC=CC3

Canonical SMILES

O=S(=O)(O)ON=C(SC1OC(CO)C(O)C(O)C1O)CC2=CN(C=3C=CC=CC32)S(=O)(=O)O

Other Names for this Substance

  • β-D-Glucopyranose, 1-thio-, 1-[1-sulfo-N-(sulfooxy)-1H-indole-3-ethanimidate]
  • Glucopyranose, 1-thio-, 1-(1-sulfoindole-3-acetohydroximate) NO-(hydrogen sulfate), β-D-
  • 1-Sulfo-3-indolylmethylglucosinolate
  • Glucobrassicin 1-sulfonate
  • Sulfoglucobrassicin

Deleted or Replaced CAS Registry Numbers

34381-48-1

CAS INSIGHTSTM
Targeted protein degrader structure, illustration