Chemical Components in the PDB

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9WZ : Summary

Code

9WZ

One-letter code

X

Molecule name

2-hydroxy-4-(2-hydroxyethyl)phenyl beta-D-fructofuranoside

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (2~{S},3~{S},4~{S},5~{R})-2-[4-(2-hydroxyethyl)-2-oxidanyl-phenoxy]-2,5-bis(hydroxymethyl)oxolane-3,4-diol

Formula

C14 H20 O8

Formal charge

0

Molecular weight

316.304 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OCCc1ccc(O[C]2(CO)O[CH](CO)[CH](O)[CH]2O)c(O)c1
SMILES OpenEye OEToolkits 2.0.6 c1cc(c(cc1CCO)O)OC2(C(C(C(O2)CO)O)O)CO
Canonical SMILES CACTVS 3.385 OCCc1ccc(O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)c(O)c1
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc(c(cc1CCO)O)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO

IUPAC InChI

InChI=1S/C14H20O8/c15-4-3-8-1-2-10(9(18)5-8)21-14(7-17)13(20)12(19)11(6-16)22-14/h1-2,5,11-13,15-20H,3-4,6-7H2/t11-,12-,13+,14-/m1/s1

IUPAC InChI key

CNXXGYXVIZNKJW-YIYPIFLZSA-N
9WZ

wwPDB Information

Atom count

42 (22 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

Yes

Standard parent

FRU

Defined at

2017-07-21

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned