Glucoerysolin

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 Search

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

Molecular Formula	C12H23NO11S3
Molecular Weight	453.506
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 21:24:08 GMT 2025` Edited by `admin` on `Wed Apr 02 21:24:08 GMT 2025`
Record UNII	DKK7R8GMD2
Record Status	`Validated (UNII)`
Record Version

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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

Related Record Type Details


					7XH95MK74G

Glucoerysolin potassium salt

SALT/SOLVATE -> PARENT

Amount: