BioLiP

PDB

BioLiP

PDB CCD ID:

LBX

Number of entries in BioLiP:

Chemical formula:

C8 H11 N O5

InChI:

InChI=1S/C8H11NO5/c10-4-1-3-9-7(8(13)14)6(12)2-5-11/h3-4,7,11H,1-2,5H2,(H,13,14)/b9-3+/t7-/m0/s1

InChIKey:

PXXGDOCPYMGSFI-FHYFFISESA-N

SMILES:

Software	SMILES
CACTVS 3.385	OCCC(=O)[CH](N=CCC=O)C(O)=O
CACTVS 3.385	OCCC(=O)[C@H](N=CCC=O)C(O)=O
ACDLabs 12.01	O=C(CCO)C(\N=C\CC=O)C(=O)O
OpenEye OEToolkits 2.0.7	C(CO)C(=O)C(C(=O)O)N=CCC=O
OpenEye OEToolkits 2.0.7	C(CO)C(=O)[C@@H](C(=O)O)/N=C/CC=O

Name:

(E)-5-hydroxy-3-oxo-N-(3-oxopropylidene)-L-norvaline

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).