Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Glucoraphanin
RN: 21414-41-5
InChIKey: GMMLNKINDDUDCF-RFOBZYEESA-N

Note

  • Precursor of sulforaphane.

Molecular Formula

  • C12-H23-N-O10-S3

Molecular Weight

  • 437.5087
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Glucoraphanin

Synonyms

  • 4-Methylsulfinylbutyl glucosinolate
  • CCRIS 9055
  • Glucorafanin
  • Glucoraphanin
  • Sulforaphane glucosinolate

Systematic Name

  • beta-D-Glucopyranose, 1-thio-, 1-(5-(methylsulfinyl)-N-(sulfooxy)pentanimidate)

Registry Numbers

CAS Registry Number

  • 21414-41-5

Other Registry Numbers

  • 1245747-40-3
  • 457655-34-4

System Generated Number

  • 0021414415

Structure Descriptors

InChI

1S/C12H23NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h7,9-12,14-17H,2-6H2,1H3,(H,19,20,21)/b13-8+/t7-,9-,10+,11-,12+,25?/m1/s1

InChIKey

GMMLNKINDDUDCF-RFOBZYEESA-N

Smiles

CS(=O)CCCC/C(=N\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O