BioLiP

PDB

BioLiP

PDB CCD ID:

NXA

Number of entries in BioLiP:

Chemical formula:

C4 H7 N O4

InChI:

InChI=1S/C4H7NO4/c1-2(3(6)7)5-4(8)9/h2,5H,1H3,(H,6,7)(H,8,9)/t2-/m0/s1

InChIKey:

JCVPWRQVQNVNGU-REOHCLBHSA-N

SMILES:

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

Name:

N-CARBOXYALANINE

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).