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BioLiP

PDB CCD ID: A1D5P
Number of entries in BioLiP: 0
Chemical formula: C9 H11 N O4
InChI: InChI=1S/C9H11NO4/c10-7(9(13)14)8(12)5-1-3-6(11)4-2-5/h1-4,7-8,11-12H,10H2,(H,13,14)/t7-,8+/m1/s1
InChIKey: RKCRKDKQUDBXAU-SFYZADRCSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1[C@@H]([C@H](C(=O)O)N)O)O
CACTVS 3.385N[C@H]([C@@H](O)c1ccc(O)cc1)C(O)=O
OpenEye OEToolkits 2.0.7c1cc(ccc1C(C(C(=O)O)N)O)O
CACTVS 3.385N[CH]([CH](O)c1ccc(O)cc1)C(O)=O
Name:(2~{R},3~{S})-2-azanyl-3-(4-hydroxyphenyl)-3-oxidanyl-propanoic acid;
(betaS)-beta-hydroxy-D-tyrosine
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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