WWE

3-dodecylsulfanyl-3-methyl-butanoic acid

Created:	2023-10-16
Last modified:	2024-10-23

Find Related PDB Entry
2 entries where WWE 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	54
Chiral Atom Count	0
Bond Count	53
Aromatic Bond Count	0

2D diagram of WWE

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	3-dodecylsulfanyl-3-methyl-butanoic acid
Systematic Name (OpenEye OEToolkits)	3-dodecylsulfanyl-3-methyl-butanoic acid
Formula	C₁₇ H₃₄ O₂ S
Molecular Weight	302.516
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCCCCCCCCCCCSC(C)(C)CC(O)=O
SMILES	OpenEye OEToolkits	2.0.7	CCCCCCCCCCCCSC(C)(C)CC(=O)O
Canonical SMILES	CACTVS	3.385	CCCCCCCCCCCCSC(C)(C)CC(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCCCCCCCCCCSC(C)(C)CC(=O)O
InChI	InChI	1.06	InChI=1S/C17H34O2S/c1-4-5-6-7-8-9-10-11-12-13-14-20-17(2,3)15-16(18)19/h4-15H2,1-3H3,(H,18,19)
InChIKey	InChI	1.06	FVOHTIJLQOWWCZ-UHFFFAOYSA-N

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.