BioLiP

PDB

BioLiP

PDB CCD ID:

7J3

Number of entries in BioLiP:

Chemical formula:

C9 H16 N2 O3

InChI:

InChI=1S/C9H16N2O3/c10-7(9(13)14)6-8(12)11-4-2-1-3-5-11/h7H,1-6,10H2,(H,13,14)/t7-/m0/s1

InChIKey:

DFQJEDOASBZINA-ZETCQYMHSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C(CC(=O)N1CCCCC1)(N)C(=O)O
OpenEye OEToolkits 2.0.6	C1CCN(CC1)C(=O)CC(C(=O)O)N
CACTVS 3.385	N[C@@H](CC(=O)N1CCCCC1)C(O)=O
CACTVS 3.385	N[CH](CC(=O)N1CCCCC1)C(O)=O
OpenEye OEToolkits 2.0.6	C1CCN(CC1)C(=O)C[C@@H](C(=O)O)N

Name:

(2S)-2-amino-4-oxo-4-(piperidin-1-yl)butanoic acid

ZINC:

ZINC000118401473

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).