BioLiP

PDB

BioLiP

PDB CCD ID:

SUF

Number of entries in BioLiP:

Chemical formula:

C4 H14 O7 P2 S

InChI:

InChI=1S/C4H14O7P2S/c1-14(2)3-4(5,12(6,7)8)13(9,10)11/h5,14H,3H2,1-2H3,(H2,6,7,8)(H2,9,10,11)

InChIKey:

QRMZYUMGWARYEI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CS(C)CC(O)(P(=O)(O)O)P(=O)(O)O
CACTVS 3.341	C[SH](C)CC(O)([P](O)(O)=O)[P](O)(O)=O
ACDLabs 10.04	O=P(O)(O)C(O)(P(=O)(O)O)CS(C)C

Name:

[2-(DIMETHYL-LAMBDA~4~-SULFANYL)-1-HYDROXYETHANE-1,1-DIYL]BIS(PHOSPHONIC 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).