BioLiP

PDB

BioLiP

PDB CCD ID:

MNV

Number of entries in BioLiP:

Chemical formula:

C6 H14 N2 O

InChI:

InChI=1S/C6H14N2O/c1-4(2)5(8-3)6(7)9/h4-5,8H,1-3H3,(H2,7,9)/t5-/m0/s1

InChIKey:

DACXAEBOHWZDAM-YFKPBYRVSA-N

SMILES:

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

Name:

N-METHYL-C-AMINO VALINE

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).