BioLiP

PDB

BioLiP

PDB CCD ID:

AA1

Number of entries in BioLiP:

Chemical formula:

C8 H14 N2 O5

InChI:

InChI=1S/C8H14N2O5/c1-2-15-8(14)4-3-6(11)10(9)5-7(12)13/h2-5,9H2,1H3,(H,12,13)

InChIKey:

HLIXWPZILNATCE-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(N(N)CC(=O)O)CCC(=O)OCC
CACTVS 3.341	CCOC(=O)CCC(=O)N(N)CC(O)=O
OpenEye OEToolkits 1.5.0	CCOC(=O)CCC(=O)N(CC(=O)O)N

Name:

[1-(4-ETHOXY-4-OXOBUTANOYL)HYDRAZINO]ACETIC ACID

ZINC:

ZINC000058638546

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).