GLUCOIBERIN

Details

Stereochemistry	UNKNOWN
Molecular Formula	C11H21NO10S3
Molecular Weight	423.48
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 6
E/Z Centers	1
Charge	0
Stereo Comments	Natural product.

SHOW SMILES / InChI

Structure Search

SMILES

C[S+]([O-])CCCC(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=NOS(O)(=O)=O

InChI

InChIKey=PHYYADMVYQURSX-WWFIZPDBSA-N

InChI=1S/C11H21NO10S3/c1-24(17)4-2-3-7(12-22-25(18,19)20)23-11-10(16)9(15)8(14)6(5-13)21-11/h6,8-11,13-16H,2-5H2,1H3,(H,18,19,20)/b12-7+/t6-,8-,9+,10-,11+,24?/m1/s1

HIDE SMILES / InChI

Molecular Formula	C11H21NO10S3
Molecular Weight	423.48
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 `Mon Mar 31 19:59:47 GMT 2025` Edited by `admin` on `Mon Mar 31 19:59:47 GMT 2025`
Record UNII	46V6R5SR5V
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

.BETA.-D-GLUCOPYRANOSE, 1-THIO-, 1-(4-(METHYLSULFINYL)-N-(SULFOOXY)BUTANIMIDATE)

Preferred Name

English

GLUCOIBERIN

Common Name

English

3-(METHYLSULFINYL)PROPYL GLUCOSINOLATE

Common Name

English

Code System Code Type Description

PUBCHEM

656543