BioLiP

PDB

BioLiP

PDB CCD ID:

6BX

Number of entries in BioLiP:

Chemical formula:

C7 H15 N O5 S

InChI:

InChI=1S/C7H15NO5S/c9-7(6-14(10,11)12)5-8-1-3-13-4-2-8/h7,9H,1-6H2,(H,10,11,12)/t7-/m0/s1

InChIKey:

NUFBIAUZAMHTSP-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	C1COCCN1CC(CS(=O)(=O)O)O
CACTVS 3.385	O[CH](CN1CCOCC1)C[S](O)(=O)=O
CACTVS 3.385	O[C@@H](CN1CCOCC1)C[S](O)(=O)=O
OpenEye OEToolkits 2.0.4	C1COCCN1C[C@@H](CS(=O)(=O)O)O
ACDLabs 12.01	O=S(O)(CC(CN1CCOCC1)O)=O

Name:

(2S)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid

ZINC:

ZINC000002149410

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).