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WEB : Summary

Code

WEB

One-letter code

X

Molecule name

alpha-D-psicopyranose

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{S},3~{R},4~{R},5~{R})-2-(hydroxymethyl)oxane-2,3,4,5-tetrol

Formula

C6 H12 O6

Formal charge

0

Molecular weight

180.156 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC[C]1(O)OC[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 2.0.7 C1C(C(C(C(O1)(CO)O)O)O)O
Canonical SMILES CACTVS 3.385 OC[C@]1(O)OC[C@@H](O)[C@@H](O)[C@H]1O
Canonical SMILES OpenEye OEToolkits 2.0.7 C1[C@H]([C@H]([C@H]([C@@](O1)(CO)O)O)O)O

IUPAC InChI

InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5-,6+/m1/s1

IUPAC InChI key

LKDRXBCSQODPBY-KAZBKCHUSA-N
WEB

wwPDB Information

Atom count

24 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2023-10-02

Last modified at

2023-10-20

Status

Released

Obsoleted

Not Assigned