BioLiP

PDB

BioLiP

PDB CCD ID:

POM

Number of entries in BioLiP:

Chemical formula:

C6 H9 N O3

InChI:

InChI=1S/C6H9NO3/c1-3-5(8)2-4(7-3)6(9)10/h3-4,7H,2H2,1H3,(H,9,10)/t3-,4-/m0/s1

InChIKey:

QQBMOLVYWYXMIA-IMJSIDKUSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC1C(=O)CC(N1)C(=O)O
ACDLabs 10.04	O=C1C(NC(C(=O)O)C1)C
OpenEye OEToolkits 1.5.0	C[C@H]1C(=O)C[C@H](N1)C(=O)O
CACTVS 3.341	C[CH]1N[CH](CC1=O)C(O)=O
CACTVS 3.341	C[C@@H]1N[C@@H](CC1=O)C(O)=O

Name:

CIS-5-METHYL-4-OXOPROLINE

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).