BioLiP

PDB

BioLiP

PDB CCD ID:

L2O

Number of entries in BioLiP:

Chemical formula:

C7 H15 N O3

InChI:

InChI=1S/C7H15NO3/c1-4(2)3-5(8)6(9)7(10)11/h4-6,9H,3,8H2,1-2H3,(H,10,11)/t5-,6+/m1/s1

InChIKey:

GZLMFCWSEKVVGO-RITPCOANSA-N

SMILES:

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

Name:

(2S,3R)-3-amino-2-hydroxy-5-methylhexanoic acid

ZINC:

ZINC000005760037

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).