BioLiP

PDB

BioLiP

PDB CCD ID:

ALS

Number of entries in BioLiP:

Chemical formula:

C3 H7 N O7 S

InChI:

InChI=1S/C3H7NO7S/c4-1(2(5)6)3(7)11-12(8,9)10/h1,3,7H,4H2,(H,5,6)(H,8,9,10)/t1-,3+/m1/s1

InChIKey:

MNJOBAOHZQQXIK-GPKNORDASA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C(C(C(OS(O)(=O)=O)O)N)(O)=O
CACTVS 3.385	N[CH]([CH](O)O[S](O)(=O)=O)C(O)=O
CACTVS 3.385	N[C@@H]([C@@H](O)O[S](O)(=O)=O)C(O)=O
OpenEye OEToolkits 1.7.6	C(C(O)OS(=O)(=O)O)(C(=O)O)N
OpenEye OEToolkits 1.7.6	[C@H]([C@@H](O)OS(=O)(=O)O)(C(=O)O)N

Name:

(3S)-3-(sulfooxy)-L-serine

DrugBank:

DB02735

ZINC:

ZINC000263620751

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).