BioLiP

PDB

BioLiP

PDB CCD ID:

NLQ

Number of entries in BioLiP:

Chemical formula:

C7 H12 N2 O4

InChI:

InChI=1S/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13)/t5-/m0/s1

InChIKey:

KSMRODHGGIIXDV-YFKPBYRVSA-N

SMILES:

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

Name:

N~2~-ACETYL-L-GLUTAMINE;
N-ACETYL-L-GLUTAMINE

ChEMBL:

CHEMBL1234757

DrugBank:

DB04167

ZINC:

ZINC000002019886

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).