BioLiP

PDB

BioLiP

PDB CCD ID:

J9A

Number of entries in BioLiP:

Chemical formula:

C8 H15 N3 O5

InChI:

InChI=1S/C8H15N3O5/c9-4(1-2-6(12)13)7(14)11-3-5(10)8(15)16/h4-5H,1-3,9-10H2,(H,11,14)(H,12,13)(H,15,16)/t4-,5-/m0/s1

InChIKey:

RPRHUASTZXFZKO-WHFBIAKZSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[C@@H](CCC(O)=O)C(=O)NC[C@H](N)C(O)=O
CACTVS 3.385	N[CH](CCC(O)=O)C(=O)NC[CH](N)C(O)=O
OpenEye OEToolkits 2.0.6	C(CC(=O)O)C(C(=O)NCC(C(=O)O)N)N
ACDLabs 12.01	O=C(O)CCC(N)C(=O)NCC(C(=O)O)N
OpenEye OEToolkits 2.0.6	C(CC(=O)O)[C@@H](C(=O)NC[C@@H](C(=O)O)N)N

Name:

N-[(2S)-2-amino-2-carboxyethyl]-L-alpha-glutamine

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).