BioLiP

PDB

BioLiP

PDB CCD ID:

RUJ

Number of entries in BioLiP:

Chemical formula:

C7 H17 N2 O2

InChI:

InChI=1S/C7H16N2O2/c1-8(9(2,3)4)6-5-7(10)11/h5-6H2,1-4H3/p+1

InChIKey:

NXHYIEABELXCMM-UHFFFAOYSA-O

SMILES:

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

Name:

3-(1,1,1,2-TETRAMETHYLHYDRAZIN-1-IUM-2-YL)PROPANOATE

ZINC:

ZINC000098209380

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).