GLUCOCHEIROLIN FREE ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C11H21NO11S3
Molecular Weight	439.48
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=OFKKQTQFWWIRBD-BZVDQRPCSA-N

InChI=1S/C11H21NO11S3/c1-25(17,18)4-2-3-7(12-23-26(19,20)21)24-11-10(16)9(15)8(14)6(5-13)22-11/h6,8-11,13-16H,2-5H2,1H3,(H,19,20,21)/b12-7+/t6-,8-,9+,10-,11+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C11H21NO11S3
Molecular Weight	439.48
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 `Tue Apr 01 22:32:15 GMT 2025` Edited by `admin` on `Tue Apr 01 22:32:15 GMT 2025`
Record UNII	CL6LDP7ZC8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GLUCOCHEIROLIN FREE ACID

Common Name

English

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

Preferred Name

English

3-METHYLSULFONYLPROPYLGLUCOSINOLATE

Common Name

English

Code System Code Type Description

FDA UNII

CL6LDP7ZC8

Created by admin on Tue Apr 01 22:32:15 GMT 2025 , Edited by admin on Tue Apr 01 22:32:15 GMT 2025

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CAS

554-86-9

Created by admin on Tue Apr 01 22:32:15 GMT 2025 , Edited by admin on Tue Apr 01 22:32:15 GMT 2025

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PUBCHEM

656531

Created by admin on Tue Apr 01 22:32:15 GMT 2025 , Edited by admin on Tue Apr 01 22:32:15 GMT 2025

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