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BioLiP

PDB CCD ID: TH6
Number of entries in BioLiP: 0
Chemical formula: C4 H9 N O4
InChI: InChI=1S/C4H9NO4/c5-3(4(8)9)2(7)1-6/h2-3,6-7H,1,5H2,(H,8,9)/t2-,3+/m1/s1
InChIKey: JBNUARFQOCGDRK-GBXIJSLDSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)C(O)CO
CACTVS 3.352N[CH]([CH](O)CO)C(O)=O
OpenEye OEToolkits 1.6.1C([C@H]([C@@H](C(=O)O)N)O)O
CACTVS 3.352N[C@@H]([C@H](O)CO)C(O)=O
OpenEye OEToolkits 1.6.1C(C(C(C(=O)O)N)O)O
Name:4-HYDROXY-L-THREONINE
ZINC: ZINC000001530328
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)(download the PDF file).
  • 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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