SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

0

Chemical formula:

C6 H13 N O4 S

InChI:

InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)

InChIKey:

SXGZJKUKBWWHRA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	[O-][S](=O)(=O)CC[NH+]1CCOCC1
OpenEye OEToolkits 1.5.0	C1COCC[NH+]1CCS(=O)(=O)[O-]
ACDLabs 10.04	[O-]S(=O)(=O)CC[NH+]1CCOCC1

Name:

2-(N-MORPHOLINO)-ETHANESULFONIC ACID

ChEMBL:

DrugBank:

ZINC:

ZINC000001583444

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).