BioLiP

PDB

BioLiP

PDB CCD ID:

0JT

Number of entries in BioLiP:

Chemical formula:

C7 H15 N O2

InChI:

InChI=1S/C7H15NO2/c1-5(2)6(8)3-4-7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m1/s1

InChIKey:

HYYFSIISRIDZPM-ZCFIWIBFSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC(C)C(CCC(=O)O)N
CACTVS 3.370	CC(C)[C@H](N)CCC(O)=O
OpenEye OEToolkits 1.7.6	CC(C)[C@@H](CCC(=O)O)N
CACTVS 3.370	CC(C)[CH](N)CCC(O)=O
ACDLabs 12.01	O=C(O)CCC(N)C(C)C

Name:

(4R)-4-amino-5-methylhexanoic acid

ZINC:

ZINC000026441384

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).