BioLiP

PDB

BioLiP

PDB CCD ID:

C2T

Number of entries in BioLiP:

Chemical formula:

C7 H17 N2 O2

InChI:

InChI=1S/C7H16N2O2/c1-4-9(2,3)8-6-5-7(10)11/h8H,4-6H2,1-3H3/p+1

InChIKey:

VFMQJOHSAQMQEH-UHFFFAOYSA-O

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)CCN[N+](C)(C)CC
CACTVS 3.385	CC[N+](C)(C)NCCC(O)=O
OpenEye OEToolkits 1.9.2	CC[N+](C)(C)NCCC(=O)O

Name:

3-(1-Ethyl-1,1-dimethylhydrazin-1-ium-2-yl)propanoic acid

ZINC:

ZINC000034156332

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).