BioLiP

PDB

BioLiP

PDB CCD ID:

LOL

Number of entries in BioLiP:

Chemical formula:

C6 H15 N O2

InChI:

InChI=1S/C6H15NO2/c1-4(2)3-5(7)6(8)9/h4-6,8-9H,3,7H2,1-2H3/t5-/m0/s1

InChIKey:

MUGBTWHZSATDPU-YFKPBYRVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	CC(C)C[C@@H](C(O)O)N
CACTVS 3.370	CC(C)C[C@H](N)C(O)O
ACDLabs 12.01	OC(O)C(N)CC(C)C
OpenEye OEToolkits 1.7.2	CC(C)CC(C(O)O)N
CACTVS 3.370	CC(C)C[CH](N)C(O)O

Name:

(2S)-2-amino-4-methylpentane-1,1-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).