BioLiP

PDB

BioLiP

PDB CCD ID:

WU3

Number of entries in BioLiP:

Chemical formula:

C15 H30 O2 S

InChI:

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:

YXNWKYMLMYBZSA-AWEZNQCLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCCCCCCCCCSC(C)C(=O)O
CACTVS 3.385	CCCCCCCCCCCCS[C@@H](C)C(O)=O
CACTVS 3.385	CCCCCCCCCCCCS[CH](C)C(O)=O
OpenEye OEToolkits 2.0.7	CCCCCCCCCCCCS[C@@H](C)C(=O)O

Name:

(2S)-2-dodecylsulfanylpropanoic acid

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).