BioLiP

PDB

BioLiP

PDB CCD ID:

KMH

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O3

InChI:

InChI=1S/C6H11NO3/c1-4(7)2-5(8)3-6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1

InChIKey:

FAASBXNEOGMQHS-BYPYZUCNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.6.1	C[C@@H](CC(=O)CC(=O)O)N
CACTVS 3.352	C[C@H](N)CC(=O)CC(O)=O
CACTVS 3.352	C[CH](N)CC(=O)CC(O)=O
OpenEye OEToolkits 1.6.1	CC(CC(=O)CC(=O)O)N

Name:

(5S)-5-AMINO-3-OXO-HEXANOIC 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).