BioLiP

PDB

BioLiP

PDB CCD ID:

AE5

Number of entries in BioLiP:

Chemical formula:

C8 H14 N2 O6

InChI:

InChI=1S/C8H14N2O6/c9-4(7(13)14)3-10-5(8(15)16)1-2-6(11)12/h4-5,10H,1-3,9H2,(H,11,12)(H,13,14)(H,15,16)/t4-,5-/m0/s1

InChIKey:

XYQHCOGLGSNTNV-WHFBIAKZSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[C@@H](CN[C@@H](CCC(O)=O)C(O)=O)C(O)=O
ACDLabs 12.01	O=C(O)C(N)CNC(C(=O)O)CCC(=O)O
CACTVS 3.385	N[CH](CN[CH](CCC(O)=O)C(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6	C(CC(=O)O)C(C(=O)O)NCC(C(=O)O)N
OpenEye OEToolkits 1.7.6	C(CC(=O)O)[C@@H](C(=O)O)NC[C@@H](C(=O)O)N

Name:

N-[(2S)-2-amino-2-carboxyethyl]-L-glutamic acid

ZINC:

ZINC000098208642

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).