Chemical Components in the PDB

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Z4Y : Summary

Code

Z4Y

One-letter code

X

Molecule name

6-thio-alpha-D-mannopyranose

Synonyms

6-thio-alpha-D-mannose
6-thio-D-mannose
6-thio-mannose

Systematic names

ProgramVersionName
ACDLabs 12.01 6-thio-alpha-D-mannopyranose
OpenEye OEToolkits 1.7.6 (2S,3S,4S,5S,6S)-6-(sulfanylmethyl)oxane-2,3,4,5-tetrol

Formula

C6 H12 O5 S

Formal charge

0

Molecular weight

196.221 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OC1C(O)C(OC(O)C1O)CS
SMILES CACTVS 3.370 O[CH]1O[CH](CS)[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.7.6 C(C1C(C(C(C(O1)O)O)O)O)S
Canonical SMILES CACTVS 3.370 O[C@H]1O[C@H](CS)[C@@H](O)[C@H](O)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 1.7.6 C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)S

IUPAC InChI

InChI=1S/C6H12O5S/c7-3-2(1-12)11-6(10)5(9)4(3)8/h2-10,12H,1H2/t2-,3-,4+,5+,6+/m1/s1

IUPAC InChI key

OMLRWUJGVBOYQP-PQMKYFCFSA-N
Z4Y

wwPDB Information

Atom count

24 (12 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, alpha linking

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2012-12-17

Last modified at

2023-08-03

Status

Released

Obsoleted

Not Assigned