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BioLiP

PDB CCD ID: MDF
Number of entries in BioLiP: 0
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:
SoftwareSMILES
OpenEye OEToolkits 1.5.0COC(=O)[C@H](c1cc(cc(c1)O)O)N
CACTVS 3.341COC(=O)[CH](N)c1cc(O)cc(O)c1
CACTVS 3.341COC(=O)[C@@H](N)c1cc(O)cc(O)c1
ACDLabs 10.04O=C(OC)C(c1cc(O)cc(O)c1)N
OpenEye OEToolkits 1.5.0COC(=O)C(c1cc(cc(c1)O)O)N
Name:META, META'-DI-HYDROXY-PHENYLALANINE
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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