BioLiP

PDB

BioLiP

PDB CCD ID:

X5H

Number of entries in BioLiP:

Chemical formula:

C8 H13 N O4

InChI:

InChI=1S/C8H13NO4/c10-7(11)4-2-1-3-5-9-6-8(12)13/h1,3,9H,2,4-6H2,(H,10,11)(H,12,13)/b3-1+

InChIKey:

NGHLUBBLFARTJA-HNQUOIGGSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(CC(=O)O)/C=C/CNCC(=O)O
CACTVS 3.385	OC(=O)CCC=CCNCC(O)=O
OpenEye OEToolkits 2.0.7	C(CC(=O)O)C=CCNCC(=O)O
CACTVS 3.385	OC(=O)CC/C=C/CNCC(O)=O

Name:

(~{E})-6-(2-hydroxy-2-oxoethylamino)hex-4-enoic 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).