BioLiP

PDB

BioLiP

PDB CCD ID:

AQK

Number of entries in BioLiP:

Chemical formula:

C7 H14 N2 O4

InChI:

InChI=1S/C7H14N2O4/c8-3-1-2-5(7(12)13)9-4-6(10)11/h5,9H,1-4,8H2,(H,10,11)(H,12,13)/t5-/m0/s1

InChIKey:

YVSBHPGVGNJMHM-YFKPBYRVSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NCCC[CH](NCC(O)=O)C(O)=O
CACTVS 3.385	NCCC[C@H](NCC(O)=O)C(O)=O
OpenEye OEToolkits 2.0.6	C(CC(C(=O)O)NCC(=O)O)CN
OpenEye OEToolkits 2.0.6	C(C[C@@H](C(=O)O)NCC(=O)O)CN

Name:

(2~{S})-5-azanyl-2-(2-hydroxy-2-oxoethylamino)pentanoic 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).