BioLiP

PDB

BioLiP

PDB CCD ID:

2AO

Number of entries in BioLiP:

Chemical formula:

C6 H15 N O

InChI:

InChI=1S/C6H15NO/c1-2-3-4-6(7)5-8/h6,8H,2-5,7H2,1H3/t6-/m0/s1

InChIKey:

DPEOTCPCYHSVTC-LURJTMIESA-N

SMILES:

Software	SMILES
CACTVS 3.341	CCCC[C@H](N)CO
OpenEye OEToolkits 1.5.0	CCCCC(CO)N
OpenEye OEToolkits 1.5.0	CCCC[C@@H](CO)N
CACTVS 3.341	CCCC[CH](N)CO
ACDLabs 10.04	OCC(N)CCCC

Name:

(2S)-2-AMINOHEXAN-1-OL

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).