BioLiP

PDB

BioLiP

PDB CCD ID:

85J

Number of entries in BioLiP:

Chemical formula:

C8 H16 N2 O3

InChI:

InChI=1S/C8H16N2O3/c1-2-5-10-7(11)4-3-6(9)8(12)13/h6H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t6-/m0/s1

InChIKey:

PFRXQAMOMSLGRY-LURJTMIESA-N

SMILES:

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

Name:

N-propyl-L-glutamine

ZINC:

ZINC000013516142

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).