BioLiP

PDB

BioLiP

PDB CCD ID:

LEX

Number of entries in BioLiP:

Chemical formula:

C7 H15 N O2

InChI:

InChI=1S/C7H15NO2/c1-5(2)3-6(8)7(10)4-9/h5-6,9H,3-4,8H2,1-2H3/t6-/m0/s1

InChIKey:

VEROGSXUMLPXMN-LURJTMIESA-N

SMILES:

Software	SMILES
CACTVS 3.370	CC(C)C[C@H](N)C(=O)CO
CACTVS 3.370	CC(C)C[CH](N)C(=O)CO
ACDLabs 12.01	O=C(C(N)CC(C)C)CO
OpenEye OEToolkits 1.7.0	CC(C)CC(C(=O)CO)N
OpenEye OEToolkits 1.7.0	CC(C)C[C@@H](C(=O)CO)N

Name:

(3S)-3-amino-1-hydroxy-5-methylhexan-2-one

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).