BioLiP

PDB

BioLiP

PDB CCD ID:

ERL

Number of entries in BioLiP:

Chemical formula:

C6 H15 N O4 S

InChI:

InChI=1S/C6H15NO4S/c1-2-3-4-5(7)6(8)12(9,10)11/h5-6,8H,2-4,7H2,1H3,(H,9,10,11)/t5-,6-/m0/s1

InChIKey:

VTAATEODKMXWSG-WDSKDSINSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCC(C(O)S(=O)(=O)O)N
CACTVS 3.385	CCCC[C@H](N)[C@@H](O)[S](O)(=O)=O
CACTVS 3.385	CCCC[CH](N)[CH](O)[S](O)(=O)=O
OpenEye OEToolkits 2.0.7	CCCC[C@@H]([C@H](O)S(=O)(=O)O)N

Name:

(1S,2S)-2-azanyl-1-oxidanyl-hexane-1-sulfonic acid;
(2R)-2-acetamido-3-sulfanyl-propanoic 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).