DQY

3-(dimethyl-lambda~4~-sulfanyl)propanoic acid

Created:	2011-08-25
Last modified:	2011-08-25

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7 entries where DQY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	0

2D diagram of DQY

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Chemical Component Summary
Name	3-(dimethyl-lambda~4~-sulfanyl)propanoic acid
Systematic Name (OpenEye OEToolkits)	3-(dimethyl-$l^{4}-sulfanyl)propanoic acid
Formula	C₅ H₁₂ O₂ S
Molecular Weight	136.213
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)CCS(C)C
SMILES	CACTVS	3.370	C[SH](C)CCC(O)=O
SMILES	OpenEye OEToolkits	1.7.2	CS(C)CCC(=O)O
Canonical SMILES	CACTVS	3.370	C[SH](C)CCC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.2	CS(C)CCC(=O)O
InChI	InChI	1.03	InChI=1S/C5H12O2S/c1-8(2)4-3-5(6)7/h8H,3-4H2,1-2H3,(H,6,7)
InChIKey	InChI	1.03	BBSYGEAKHYDEGI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	416901

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.