BioLiP

PDB

BioLiP

PDB CCD ID:

2MJ

Number of entries in BioLiP:

Chemical formula:

C7 H17 N O2

InChI:

InChI=1S/C7H17NO2/c1-5(2)3-6(8)7(10)4-9/h5-7,9-10H,3-4,8H2,1-2H3/t6-,7-/m0/s1

InChIKey:

OMCIQBXZJIKYIY-BQBZGAKWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC(C)C[C@@H]([C@H](CO)O)N
CACTVS 3.385	CC(C)C[C@H](N)[C@@H](O)CO
ACDLabs 12.01	OCC(O)C(N)CC(C)C
OpenEye OEToolkits 1.7.6	CC(C)CC(C(CO)O)N
CACTVS 3.385	CC(C)C[CH](N)[CH](O)CO

Name:

(2R,3S)-3-amino-5-methylhexane-1,2-diol

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).