BioLiP

PDB

BioLiP

PDB CCD ID:

VAF

Number of entries in BioLiP:

Chemical formula:

C6 H13 N O

InChI:

InChI=1S/C6H13NO/c1-4(2)6(7)5(3)8/h4,6H,7H2,1-3H3/t6-/m0/s1

InChIKey:

LQKJPBCCNFJUCX-LURJTMIESA-N

SMILES:

Software	SMILES
CACTVS 3.341	CC(C)[CH](N)C(C)=O
OpenEye OEToolkits 1.5.0	CC(C)[C@@H](C(=O)C)N
CACTVS 3.341	CC(C)[C@H](N)C(C)=O
ACDLabs 10.04	O=C(C)C(N)C(C)C
OpenEye OEToolkits 1.5.0	CC(C)C(C(=O)C)N

Name:

METHYLVALINE

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).