BioLiP

PDB

BioLiP

PDB CCD ID:

LLQ

Number of entries in BioLiP:

Chemical formula:

C3 H8 O5 S

InChI:

InChI=1S/C3H8O5S/c4-1-3(5)2-9(6,7)8/h3-5H,1-2H2,(H,6,7,8)/t3-/m0/s1

InChIKey:

YPFUJZAAZJXMIP-VKHMYHEASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(C(CS(=O)(=O)O)O)O
OpenEye OEToolkits 2.0.7	C([C@@H](CS(=O)(=O)O)O)O
CACTVS 3.385	OC[C@H](O)C[S](O)(=O)=O
CACTVS 3.385	OC[CH](O)C[S](O)(=O)=O

Name:

(2~{S})-2,3-bis(oxidanyl)propane-1-sulfonic acid

ZINC:

ZINC000001603749

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).