BioLiP

PDB

BioLiP

PDB CCD ID:

A1AUG

Number of entries in BioLiP:

Chemical formula:

C5 H9 N O3

InChI:

InChI=1S/C5H9NO3/c6-4(5(8)9)2-1-3-7/h3-4H,1-2,6H2,(H,8,9)/t4-/m0/s1

InChIKey:

KABXUUFDPUOJMW-BYPYZUCNSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[C@@H](CCC=O)C(O)=O
OpenEye OEToolkits 2.0.7	C(C[C@@H](C(=O)O)N)C=O
OpenEye OEToolkits 2.0.7	C(CC(C(=O)O)N)C=O
CACTVS 3.385	N[CH](CCC=O)C(O)=O
ACDLabs 12.01	O=CCCC(N)C(=O)O

Name:

5-oxo-L-norvaline;
L-glutamate gamma-aldehyde

DrugBank:

DB04388

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).