TMR

2,6-dideoxy-4-S-methyl-4-thio-beta-D-ribo-hexopyranose

Created:	1999-07-08
Last modified:	2020-07-17

Find Related PDB Entry
1 entries where TMR is covalently linked to polymer or other heterogen groups

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	4
Bond Count	25
Aromatic Bond Count	0

2D diagram of TMR

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2,6-dideoxy-4-S-methyl-4-thio-beta-D-ribo-hexopyranose
Synonyms	2,6-DIDEOXY-4-THIOMETHYL-BETA-D-RIBOHEXOPYRANOSIDE; 2,6-dideoxy-4-S-methyl-4-thio-beta-D-ribo-hexose; 2,6-dideoxy-4-S-methyl-4-thio-D-ribo-hexose; 2,6-dideoxy-4-S-methyl-4-thio-ribo-hexose
Systematic Name (OpenEye OEToolkits)	(2R,4S,5S,6R)-6-methyl-5-methylsulfanyl-oxane-2,4-diol
Formula	C₇ H₁₄ O₃ S
Molecular Weight	178.249
Type	D-SACCHARIDE, BETA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	S(C1C(OC(O)CC1O)C)C
SMILES	CACTVS	3.341	CS[CH]1[CH](C)O[CH](O)C[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	CC1C(C(CC(O1)O)O)SC
Canonical SMILES	CACTVS	3.341	CS[C@@H]1[C@@H](C)O[C@@H](O)C[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@@H]1[C@H]([C@H](C[C@@H](O1)O)O)SC
InChI	InChI	1.03	InChI=1S/C7H14O3S/c1-4-7(11-2)5(8)3-6(9)10-4/h4-9H,3H2,1-2H3/t4-,5+,6-,7-/m1/s1
InChIKey	InChI	1.03	PUECVJLJBFVUMI-XZBKPIIZSA-N

Related Resource References

Resource Name	Reference
PubChem	447846

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.