BioLiP

PDB

BioLiP

PDB CCD ID:

WH8

Number of entries in BioLiP:

Chemical formula:

C17 H34 O2 S

InChI:

InChI=1S/C17H34O2S/c1-4-5-6-7-8-9-10-11-12-13-14-20-16(3)15(2)17(18)19/h15-16H,4-14H2,1-3H3,(H,18,19)/t15-,16+/m1/s1

InChIKey:

YKCSGXHNGYGGRC-CVEARBPZSA-N

SMILES:

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

Name:

(2S,3S)-3-dodecylsulfanyl-2-methyl-butanoic 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).