BioLiP

PDB

BioLiP

PDB CCD ID:

NLG

Number of entries in BioLiP:

Chemical formula:

C7 H11 N O5

InChI:

InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1

InChIKey:

RFMMMVDNIPUKGG-YFKPBYRVSA-N

SMILES:

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

Name:

N-ACETYL-L-GLUTAMATE

ChEMBL:

CHEMBL1234751

DrugBank:

DB04075

ZINC:

ZINC000001532704

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).