BioLiP

PDB

BioLiP

PDB CCD ID:

HL2

Number of entries in BioLiP:

Chemical formula:

C6 H13 N O3

InChI:

InChI=1S/C6H13NO3/c1-3(2)5(8)4(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t4-,5+/m0/s1

InChIKey:

ZAYJDMWJYCTABM-CRCLSJGQSA-N

SMILES:

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

Name:

(2S,3R)-2-amino-3-hydroxy-4-methylpentanoic acid;
BETA-HYDROXYLEUCINE

ZINC:

ZINC000001715387

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).