Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

RVW : Summary

Code

RVW

One-letter code

X

Molecule name

(2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol

Formula

C6 H12 O5 S

Formal charge

0

Molecular weight

196.221 Da

SMILES

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

IUPAC InChI

InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3-,4+,5-,6-/m0/s1

IUPAC InChI key

JUSMHIGDXPKSID-QYESYBIKSA-N
RVW

wwPDB Information

Atom count

24 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-10-25

Last modified at

2020-11-27

Status

Released

Obsoleted

Not Assigned