BioLiP

PDB

BioLiP

PDB CCD ID:

J7H

Number of entries in BioLiP:

Chemical formula:

C8 H17 N O2

InChI:

InChI=1S/C8H17NO2/c1-3-4-5-6-8(2,9)7(10)11/h3-6,9H2,1-2H3,(H,10,11)/t8-/m1/s1

InChIKey:

HENXVCQQPFPENU-MRVPVSSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCC[C@](C)(C(=O)O)N
CACTVS 3.385	CCCCC[C](C)(N)C(O)=O
OpenEye OEToolkits 2.0.7	CCCCCC(C)(C(=O)O)N
CACTVS 3.385	CCCCC[C@@](C)(N)C(O)=O

Name:

(2~{R})-2-azanyl-2-methyl-heptanoic acid

ZINC:

ZINC000002048333

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).