DTO

1-HYDROXYSULFANYL-4-MERCAPTO-BUTANE-2,3-DIOL

Created:	1999-09-29
Last modified:	2011-06-04

Find Related PDB Entry
2 entries where DTO is found as a standalone ligand

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	19
Chiral Atom Count	2
Bond Count	18
Aromatic Bond Count	0

2D diagram of DTO

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	1-HYDROXYSULFANYL-4-MERCAPTO-BUTANE-2,3-DIOL
Systematic Name (OpenEye OEToolkits)	(2S,3S)-1-hydroxysulfanyl-4-sulfanyl-butane-2,3-diol
Formula	C₄ H₁₀ O₃ S₂
Molecular Weight	170.25
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	SCC(O)C(O)CSO
SMILES	CACTVS	3.341	OSC[CH](O)[CH](O)CS
SMILES	OpenEye OEToolkits	1.5.0	C(C(C(CSO)O)O)S
Canonical SMILES	CACTVS	3.341	OSC[C@@H](O)[C@H](O)CS
Canonical SMILES	OpenEye OEToolkits	1.5.0	C([C@H]([C@@H](CSO)O)O)S
InChI	InChI	1.03	InChI=1S/C4H10O3S2/c5-3(1-8)4(6)2-9-7/h3-8H,1-2H2/t3-,4-/m1/s1
InChIKey	InChI	1.03	MFLGZMZEMVZQCC-QWWZWVQMSA-N

Related Resource References

Resource Name	Reference
PubChem	5288125

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.