WU3

(2S)-2-dodecylsulfanylpropanoic acid

Created:	2023-10-13
Last modified:	2024-10-23

Find Related PDB Entry
2 entries where WU3 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	48
Chiral Atom Count	1
Bond Count	47
Aromatic Bond Count	0

2D diagram of WU3

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(2S)-2-dodecylsulfanylpropanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-dodecylsulfanylpropanoic acid
Formula	C₁₅ H₃₀ O₂ S
Molecular Weight	274.462
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCCCCCCCCCCCS[CH](C)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	CCCCCCCCCCCCSC(C)C(=O)O
Canonical SMILES	CACTVS	3.385	CCCCCCCCCCCCS[C@@H](C)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCCCCCCCCCCS[C@@H](C)C(=O)O
InChI	InChI	1.06	InChI=1S/C15H30O2S/c1-3-4-5-6-7-8-9-10-11-12-13-18-14(2)15(16)17/h14H,3-13H2,1-2H3,(H,16,17)/t14-/m0/s1
InChIKey	InChI	1.06	YXNWKYMLMYBZSA-AWEZNQCLSA-N

Related Resource References

Resource Name	Reference
PubChem	98492558

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.