(Q27124298)

PjCHO anion (English)

6 October 2016

chemical formula

C₂₁H₁₉O₁₄S⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=CC=C(C(=C1)C2=COC3=C(C2=O)C(=C(C=C3)OCC(C(C(C(C(=O)[O-])O)O)O)O)O)OS(=O)(=O)O

1 reference

PjCHO anion (English)

6 October 2016

isomeric SMILES

C1=CC=C(C(=C1)C2=COC3=C(C2=O)C(=C(C=C3)OC[C@@H]([C@H]([C@@H]([C@@H](C(=O)[O-])O)O)O)O)O)OS(=O)(=O)O

1 reference

PjCHO anion (English)

InChI=1S/C21H20O14S/c22-11(17(24)19(26)20(27)21(28)29)8-34-14-6-5-13-15(18(14)25)16(23)10(7-33-13)9-3-1-2-4-12(9)35-36(30,31)32/h1-7,11,17,19-20,22,24-27H,8H2,(H,28,29)(H,30,31,32)/p-1/t11-,17+,19-,20-/m0/s1

6 October 2016

Identifiers

InChI

1 reference

PjCHO anion (English)

ADXDKVCSBABQQD-BHJHUSPKSA-M

6 October 2016

InChIKey

2 references

PjCHO anion (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

6-O-{5-Hydroxy-4-oxo-3-[2-(sulfooxy)phenyl]-4H-chromen-6-yl}-L-gulonate (English)

6 October 2016

1 reference

PjCHO anion (English)

6 October 2016

ChEBI ID

55447

mapping relation type

1 reference

Immune Epitope Database and Analysis Resource

6-O-{5-hydroxy-4-oxo-3-[2-(sulfooxy)phenyl]-4H-chromen-6-yl}-L-gulonate (English)

6 October 2016

1 reference

1 reference

IEDB Epitope ID

117424