Search MNXref
 Feedback

glucoiberin

MNXM8655 is deprecated and here replaced by MNXM740883
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM740883 Image of MNXM740883
referencechebi:5406
formulaC11H20NO10S3
global charge-1
mol weight422.479
InChIKeyPHYYADMVYQURSX-GEINXPCQSA-M
InChIInChI=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
SMILESCS(=O)CCCC(=NOS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM740883
SMILES (mnx)[CH3:1][S:24]([CH2:4][CH2:2][CH2:3][C:7](=[N:12][O:22][S:25]([OH:18])(=[O:19])=[O:20])[S:23][C@H:11]1[C@H:10]([OH:16])[C@@H:9]([OH:15])[C@H:8]([OH:14])[C@@H:6]([CH2:5][OH:13])[O:21]1)=[O:17]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:5406
chebi:5406
PHYYADMVYQURSX-GEINXPCQSA-M 		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)
hmdb:HMDB0304141
PHYYADMVYQURSX-UHFFFAOYSA-M 		3-methylsulfinylpropyl-glucosinolate
2-(Hydroxymethyl)-6-({4-methanesulphinyl-1-[(sulphonatooxy)imino]butyl}sulphanyl)oxane-3,4,5-triol
2-(hydroxymethyl)-6-({4-methanesulfinyl-1-[(sulfonatooxy)imino]butyl}sulfanyl)oxane-3,4,5-triol
3-Methylsulfinylpropyl-glucosinolic acid
3-Methylsulphinylpropyl-glucosinolate
3-Methylsulphinylpropyl-glucosinolic acid

kegg.compound:C08411
keggC:C08411
PHYYADMVYQURSX-GEINXPCQSA-N 		Glucoiberin
3-Methylsulfinylpropyl glucosinolate

keggC:M_C08411 		secondary/obsolete/fantasy identifier