BioLiP

PDB

BioLiP

PDB CCD ID:

GZJ

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O3

InChI:

InChI=1S/C6H11NO3/c1-3-5(6(9)10)7-4(2)8/h5H,3H2,1-2H3,(H,7,8)(H,9,10)/t5-/m0/s1

InChIKey:

WZVZUKROCHDMDT-YFKPBYRVSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC[CH](NC(C)=O)C(O)=O
ACDLabs 12.01	CC(NC(C(=O)O)CC)=O
OpenEye OEToolkits 2.0.6	CC[C@@H](C(=O)O)NC(=O)C
CACTVS 3.385	CC[C@H](NC(C)=O)C(O)=O
OpenEye OEToolkits 2.0.6	CCC(C(=O)O)NC(=O)C

Name:

(2S)-2-(acetylamino)butanoic acid

ZINC:

ZINC000004760975

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).