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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H23NO11S3
Molecular Weight 453.506
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Glucoerysolin

SMILES

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

InChI

InChIKey=WJMGSLJQEIYHOF-KALKGZTMSA-N
InChI=1S/C12H23NO11S3/c1-26(18,19)5-3-2-4-8(13-24-27(20,21)22)25-12-11(17)10(16)9(15)7(6-14)23-12/h7,9-12,14-17H,2-6H2,1H3,(H,20,21,22)/b13-8+/t7-,9-,10+,11-,12+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
4-Methylsulfonylbutyl glucosinolate
Preferred Name English
Glucoerysolin
Common Name English
[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 5-methylsulfonyl-N-sulfooxypentanimidothioate
Systematic Name English
?-D-Glucopyranose, 1-thio-, 1-[5-(methylsulfonyl)-N-(sulfooxy)pentanimidate]
Systematic Name English
Code System Code Type Description
PUBCHEM
656541
Created by admin on Wed Apr 02 21:24:08 GMT 2025 , Edited by admin on Wed Apr 02 21:24:08 GMT 2025
PRIMARY
CAS
74542-16-8
Created by admin on Wed Apr 02 21:24:08 GMT 2025 , Edited by admin on Wed Apr 02 21:24:08 GMT 2025
PRIMARY
FDA UNII
DKK7R8GMD2
Created by admin on Wed Apr 02 21:24:08 GMT 2025 , Edited by admin on Wed Apr 02 21:24:08 GMT 2025
PRIMARY