BioLiP

PDB

BioLiP

PDB CCD ID:

YD5

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O4

InChI:

InChI=1S/C6H11NO4/c1-4(6(10)11)7-3-2-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1

InChIKey:

OAWHMSFCLIYBHE-BYPYZUCNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C(=O)O)NCCC(=O)O
OpenEye OEToolkits 2.0.7	C[C@@H](C(=O)O)NCCC(=O)O
CACTVS 3.385	C[CH](NCCC(O)=O)C(O)=O
ACDLabs 12.01	OC(=O)CCNC(C)C(=O)O
CACTVS 3.385	C[C@H](NCCC(O)=O)C(O)=O

Name:

N-(2-carboxyethyl)-L-alanine

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).