BioLiP

PDB

BioLiP

PDB CCD ID:

XBN

Number of entries in BioLiP:

Chemical formula:

C9 H20 N2 O3

InChI:

InChI=1S/C9H20N2O3/c1-2-3-4-5-6-10-11-8(7-12)9(13)14/h8,10-12H,2-7H2,1H3,(H,13,14)/t8-/m0/s1

InChIKey:

HIBZWEWQIZJYRX-QMMMGPOBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCCCNNC(CO)C(=O)O
CACTVS 3.385	CCCCCCNN[C@@H](CO)C(O)=O
OpenEye OEToolkits 2.0.7	CCCCCCNN[C@@H](CO)C(=O)O
CACTVS 3.385	CCCCCCNN[CH](CO)C(O)=O

Name:

(2~{S})-2-(2-hexylhydrazinyl)-3-oxidanyl-propanoic 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).