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glucoberteroin(1-)

MNXM11687 is deprecated and here replaced by MNXM1371026
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371026 Image of MNXM1371026
referencechebi:5396
formulaC13H24NO9S3
global charge-1
mol weight434.534
InChIKeyMEFPHTVXBPLRLX-CBEPRAPJSA-M
InChIInChI=1S/C13H25NO9S3/c1-24-6-4-2-3-5-9(14-23-26(19,20)21)25-13-12(18)11(17)10(16)8(7-15)22-13/h8,10-13,15-18H,2-7H2,1H3,(H,19,20,21)/p-1/b14-9-/t8-,10-,11+,12-,13+/m1/s1
SMILESCSCCCCC/C(=N/OS(=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/C13H25NO9S3/c1-24-6-4-2-3-5-9(14-23-26(19,20)21)25-13-12(18)11(17)10(16)8(7-15)22-13/h8,10-13,15-18H,2-7H2,1H3,(H,19,20,21)/b14-9-/t8-,10-,11+,12-,13+/m1/s1 Image of MNXM1371026
SMILES (mnx)[CH3:1][S:24][CH2:6][CH2:4][CH2:2][CH2:3][CH2:5]/[C:9](=[N:14]/[O:23][S:26]([OH:19])(=[O:20])=[O:21])[S:25][C@H:13]1[C@H:12]([OH:18])[C@@H:11]([OH:17])[C@H:10]([OH:16])[C@@H:8]([CH2:7][OH:15])[O:22]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:5396
chebi:5396
MEFPHTVXBPLRLX-CBEPRAPJSA-M 		glucoberteroin(1-)
1-S-[(1Z)-6-(methylsulfanyl)-N-(sulfonatooxy)hexanimidoyl]-1-thio-beta-D-glucopyranose
Glucoberteroin
Glucopyranose, 1-thio-, 1-(6-(methylthio)hexanohydroximate) NO-(hydrogen sulfate), beta-D-

seed.compound:cpd05313
seedM:cpd05313
MEFPHTVXBPLRLX-CBEPRAPJSA-M 		Glucoberteroin
5-(methylsulfanyl)pentyl-glucosinolate
5-(methylthio)pentyl-glucosinolate
5-Methylthiopentyl glucosinolate
5-methylthiopentylglucosinolate
Glucopyranose, 1-thio-, 1-(6-(methylthio)hexanohydroximate) NO-(hydrogen sulfate), beta-D-
glucoberteroin
glucopyranose, 1-thio-, 1-(6-(methylthio)hexanohydroximate) NO-(hydrogen sulfate), beta-D-

CHEBI:79324
chebi:79324
MEFPHTVXBPLRLX-CBEPRAPJSA-N 		glucoberteroin
1-S-[(1Z)-6-(methylsulfanyl)-N-(sulfooxy)hexanimidoyl]-1-thio-beta-D-glucopyranose
5-Methylthiopentyl glucosinolate

metacyc.compound:CPDQT-286
metacycM:CPDQT-286
MEFPHTVXBPLRLX-CBEPRAPJSA-M 		glucoberteroin
5-(methylsulfanyl)pentyl-glucosinolate
5-(methylthio)pentyl-glucosinolate

seedM:M_cpd05313 		secondary/obsolete/fantasy identifier