BioLiP

PDB

BioLiP

PDB CCD ID:

GQI

Number of entries in BioLiP:

Chemical formula:

C5 H8 N2 O5 S

InChI:

InChI=1S/C5H8N2O5S/c6-3(5(10)11)2-13-12-7-1-4(8)9/h1,3H,2,6H2,(H,8,9)(H,10,11)/b7-1+/t3-/m0/s1

InChIKey:

UKPHWYCUZNYAML-COCXTYOSSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(C(C(=O)O)N)SON=CC(=O)O
OpenEye OEToolkits 2.0.7	C([C@@H](C(=O)O)N)SO/N=C/C(=O)O
CACTVS 3.385	N[CH](CSON=CC(O)=O)C(O)=O
CACTVS 3.385	N[C@@H](CSO/N=C/C(O)=O)C(O)=O

Name:

(2R)-2-azanyl-3-[(E)-(2-oxidanyl-2-oxidanylidene-ethylidene)amino]oxysulfanyl-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).