BioLiP

PDB

BioLiP

PDB CCD ID:

05N

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O3

InChI:

InChI=1S/C6H11NO3/c1-3-4(8)2-7-5(3)6(9)10/h3-5,7-8H,2H2,1H3,(H,9,10)/t3-,4-,5-/m0/s1

InChIKey:

OKDDZUAFBARWMD-YUPRTTJUSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C[C@H]1[C@H](CN[C@@H]1C(=O)O)O
OpenEye OEToolkits 1.7.6	CC1C(CNC1C(=O)O)O
CACTVS 3.370	C[CH]1[CH](O)CN[CH]1C(O)=O
CACTVS 3.370	C[C@H]1[C@@H](O)CN[C@@H]1C(O)=O
ACDLabs 12.01	O=C(O)C1NCC(O)C1C

Name:

(3R,4R)-4-hydroxy-3-methyl-L-proline

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).