BioLiP

PDB

BioLiP

PDB CCD ID:

AN0

Number of entries in BioLiP:

Chemical formula:

C7 H13 N O3

InChI:

InChI=1S/C7H13NO3/c1-3-4-6(7(10)11)8-5(2)9/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1

InChIKey:

BSYFPUSAWVWWDG-LURJTMIESA-N

SMILES:

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

Name:

N-ACETYL-L-NORVALINE

ZINC:

ZINC000004763049

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).