BioLiP

PDB

BioLiP

PDB CCD ID:

LED

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O3

InChI:

InChI=1S/C6H11NO3/c1-4(3-8)2-5(7)6(9)10/h3-5H,2,7H2,1H3,(H,9,10)/t4-,5+/m1/s1

InChIKey:

ALVALNHXAQAJAM-UHNVWZDZSA-N

SMILES:

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

Name:

(4R)-5-OXO-L-LEUCINE

ZINC:

ZINC000034870132

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).