BioLiP

PDB

BioLiP

PDB CCD ID:

UKM

Number of entries in BioLiP:

Chemical formula:

C4 H10 O4 S

InChI:

InChI=1S/C4H10O4S/c1-2-3-4(5)9(6,7)8/h4-5H,2-3H2,1H3,(H,6,7,8)/t4-/m1/s1

InChIKey:

KMBRJVMBQNMRDM-SCSAIBSYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCC[C@H](O)[S](O)(=O)=O
CACTVS 3.385	CCC[CH](O)[S](O)(=O)=O
OpenEye OEToolkits 2.0.7	CCCC(O)S(=O)(=O)O
OpenEye OEToolkits 2.0.7	CCC[C@H](O)S(=O)(=O)O
ACDLabs 12.01	C(CCC)(O)S(=O)(O)=O

Name:

(1R)-1-hydroxybutane-1-sulfonic acid

ZINC:

ZINC000006381313

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).