(Q27106764)

1-S-[(1E)-3-Hydroxy-N-(sulfonatooxy)-5-hexenimidoyl]-1-thio-beta-D-glucopyranose (English)

5 October 2016

chemical formula

C₁₂H₂₀NO₁₀S₂⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C=CCC(CC(=NOS([O-])(=O)=O)SC1(C(C(C(C(CO)(O1)[H])(O)[H])(O)[H])(O)[H])[H])(O)[H]

1 reference

gluconapoleiferin(1-) (English)

5 October 2016

isomeric SMILES

C=CCC(CC(=NOS([O-])(=O)=O)S[C@]1([C@@]([C@]([C@@]([C@@](CO)(O1)[H])(O)[H])(O)[H])(O)[H])[H])(O)[H]

1 reference

gluconapoleiferin(1-) (English)

InChI=1S/C12H21NO10S2/c1-2-3-6(15)4-8(13-23-25(19,20)21)24-12-11(18)10(17)9(16)7(5-14)22-12/h2,6-7,9-12,14-18H,1,3-5H2,(H,19,20,21)/p-1/t6?,7-,9-,10+,11-,12+/m1/s1

5 October 2016

Identifiers

InChI

1 reference

gluconapoleiferin(1-) (English)

ZEGLQSKFSKZGRO-IAYUFQOSSA-M

5 October 2016

InChIKey

2 references

gluconapoleiferin(1-) (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

gluconapoleiferin(1-) (English)

5 October 2016

1 reference

1-S-[(1E)-3-Hydroxy-N-(sulfonatooxy)-5-hexenimidoyl]-1-thio-beta-D-glucopyranose (English)

5 October 2016

1 reference

26 December 2021

mapping relation type

1 reference

DSSTOX compound identifier

gluconapoleiferin(1-) (English)

5 October 2016

1 reference

0 references

0 references

0 references

1 reference

gluconapoleiferin(1-) (English)