BioLiP

PDB

BioLiP

PDB CCD ID:

AYA

Number of entries in BioLiP:

Chemical formula:

C5 H9 N O3

InChI:

InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1

InChIKey:

KTHDTJVBEPMMGL-VKHMYHEASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(C(=O)O)NC(=O)C
CACTVS 3.341	C[C@H](NC(C)=O)C(O)=O
CACTVS 3.341	C[CH](NC(C)=O)C(O)=O
OpenEye OEToolkits 1.5.0	C[C@@H](C(=O)O)NC(=O)C
ACDLabs 10.04	O=C(NC(C(=O)O)C)C

Name:

N-ACETYLALANINE

ChEMBL:

CHEMBL1231115

DrugBank:

DB02518

ZINC:

ZINC000000114134

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).