BioLiP

PDB

BioLiP

PDB CCD ID:

2DO

Number of entries in BioLiP:

Chemical formula:

C6 H15 N O2

InChI:

InChI=1S/C6H15NO2/c1-2-3-4-5(7)6(8)9/h5-6,8-9H,2-4,7H2,1H3/t5-/m0/s1

InChIKey:

SUCLLBDDWGZXQQ-YFKPBYRVSA-N

SMILES:

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

Name:

(2S)-2-AMINOHEXANE-1,1-DIOL

ZINC:

ZINC000058632220

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).