BioLiP

PDB

BioLiP

PDB CCD ID:

MDF

Number of entries in BioLiP:

Chemical formula:

C9 H11 N O4

InChI:

InChI=1S/C9H11NO4/c1-14-9(13)8(10)5-2-6(11)4-7(12)3-5/h2-4,8,11-12H,10H2,1H3/t8-/m0/s1

InChIKey:

RPSOEOPINVKYBT-QMMMGPOBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	COC(=O)[C@H](c1cc(cc(c1)O)O)N
CACTVS 3.341	COC(=O)[CH](N)c1cc(O)cc(O)c1
CACTVS 3.341	COC(=O)[C@@H](N)c1cc(O)cc(O)c1
ACDLabs 10.04	O=C(OC)C(c1cc(O)cc(O)c1)N
OpenEye OEToolkits 1.5.0	COC(=O)C(c1cc(cc(c1)O)O)N

Name:

META, META'-DI-HYDROXY-PHENYLALANINE

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).