BioLiP

PDB

BioLiP

PDB CCD ID:

WEH

Number of entries in BioLiP:

Chemical formula:

C6 H12 N2 O3

InChI:

InChI=1S/C6H12N2O3/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H2,8,9)(H,10,11)/t4-/m1/s1

InChIKey:

YZJSUQQZGCHHNQ-SCSAIBSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(CC(C(=O)O)N)CC(=O)N
OpenEye OEToolkits 2.0.7	C(C[C@@H](C(=O)O)N)CC(=O)N
CACTVS 3.385	N[CH](CCCC(N)=O)C(O)=O
CACTVS 3.385	N[C@H](CCCC(N)=O)C(O)=O

Name:

L-Homoglutamine;
(2~{S})-2,6-bis(azanyl)-6-oxidanylidene-hexanoic acid

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).