Chemical Components in the PDB

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SR1 : Summary

Code

SR1

One-letter code

X

Molecule name

5-S-methyl-5-thio-alpha-D-ribofuranose

Synonyms

5-S-methyl-5-thio-alpha-D-ribose
5-S-methyl-5-thio-D-ribose
5-S-methyl-5-thio-ribose

Systematic names

ProgramVersionName
ACDLabs 10.04 5-S-methyl-5-thio-alpha-D-ribofuranose
OpenEye OEToolkits 1.5.0 (2S,3R,4S,5S)-5-(methylsulfanylmethyl)oxolane-2,3,4-triol

Formula

C6 H12 O4 S

Formal charge

0

Molecular weight

180.222 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OC1C(OC(O)C1O)CSC
SMILES CACTVS 3.341 CSC[CH]1O[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.5.0 CSCC1C(C(C(O1)O)O)O
Canonical SMILES CACTVS 3.341 CSC[C@H]1O[C@H](O)[C@H](O)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 1.5.0 CSC[C@@H]1[C@H]([C@H]([C@H](O1)O)O)O

IUPAC InChI

InChI=1S/C6H12O4S/c1-11-2-3-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6+/m1/s1

IUPAC InChI key

OLVVOVIFTBSBBH-KAZBKCHUSA-N
SR1

wwPDB Information

Atom count

23 (11 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, alpha linking

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2005-03-31

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned