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glucoiberin

MNXM8655 is deprecated and here replaced by MNXM740883
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM740883

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₁H₂₀NO₁₀S₃

charge

-1

mass

422.02548

reference

chebi:5406

InChIKey

PHYYADMVYQURSX-GEINXPCQSA-M

InChI

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)/p-1/t6-,8-,9+,10-,11+,24?/m1/s1

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:5406 chebi:5406	glucoiberin 1-S-[4-(methylsulfinyl)-N-(sulfonatooxy)butanimidoyl]-1-thio-beta-D-glucopyranose 3-Methylsulfinylpropyl glucosinolate 3-methylsulfinylpropylglucosinolate Glucoiberin beta-D-Glucopyranose, 1-thio-, 1-(4-(methylsulfinyl)-N-(sulfooxy)butanimidate)
kegg.compound:C08411 keggC:C08411	Glucoiberin 3-Methylsulfinylpropyl glucosinolate
keggC:M_C08411	secondary/obsolete/fantasy identifier