BioLiP

PDB

BioLiP

PDB CCD ID:

8JI

Number of entries in BioLiP:

Chemical formula:

C12 H13 N O5

InChI:

InChI=1S/C12H13NO5/c14-9(6-7-10(15)16)13-11(12(17)18)8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,13,14)(H,15,16)(H,17,18)/t11-/m0/s1

InChIKey:

GQFHIYFXQQEWME-NSHDSACASA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)CCC(=O)N[CH](C(O)=O)c1ccccc1
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C(C(=O)O)NC(=O)CCC(=O)O
CACTVS 3.385	OC(=O)CCC(=O)N[C@H](C(O)=O)c1ccccc1
ACDLabs 12.01	O=C(O)CCC(=O)NC(C(=O)O)c1ccccc1
OpenEye OEToolkits 2.0.7	c1ccc(cc1)[C@@H](C(=O)O)NC(=O)CCC(=O)O

Name:

N-succinyl-L-phenylglycine

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).