Chemical Components in the PDB

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DSR : Summary

Code

DSR

One-letter code

X

Molecule name

2,6-dideoxy-4-thio-beta-D-allopyranose

Systematic names

ProgramVersionName
ACDLabs 10.04 2,6-dideoxy-4-thio-beta-D-ribo-hexopyranose
OpenEye OEToolkits 1.5.0 (2R,4S,5S,6R)-6-methyl-5-sulfanyl-oxane-2,4-diol

Formula

C6 H12 O3 S

Formal charge

0

Molecular weight

164.223 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 SC1C(OC(O)CC1O)C
SMILES CACTVS 3.341 C[CH]1O[CH](O)C[CH](O)[CH]1S
SMILES OpenEye OEToolkits 1.5.0 CC1C(C(CC(O1)O)O)S
Canonical SMILES CACTVS 3.341 C[C@H]1O[C@@H](O)C[C@H](O)[C@@H]1S
Canonical SMILES OpenEye OEToolkits 1.5.0 C[C@@H]1[C@H]([C@H](C[C@@H](O1)O)O)S

IUPAC InChI

InChI=1S/C6H12O3S/c1-3-6(10)4(7)2-5(8)9-3/h3-8,10H,2H2,1H3/t3-,4+,5-,6-/m1/s1

IUPAC InChI key

PYIPBDQDMFBTIQ-JGWLITMVSA-N
DSR

wwPDB Information

Atom count

22 (10 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, beta linking

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned