BioLiP

PDB

BioLiP

PDB CCD ID:

DEI

Number of entries in BioLiP:

Chemical formula:

C4 H6 O3 S

InChI:

InChI=1S/C4H6O3S/c1-8-2-3(5)4(6)7/h2,5H,1H3,(H,6,7)/b3-2-

InChIKey:

VOKJWIQPUMADMU-IHWYPQMZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CS\C=C(\C(=O)O)/O
CACTVS 3.341	CSC=C(O)C(O)=O
CACTVS 3.341	CS\C=C(O)\C(O)=O
OpenEye OEToolkits 1.5.0	CSC=C(C(=O)O)O
ACDLabs 10.04	O=C(O)C(\O)=C\SC

Name:

(2Z)-2-hydroxy-3-(methylsulfanyl)prop-2-enoic acid

ZINC:

ZINC000103538756

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).