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BioLiP Library

PDB CCD ID: CTH
Number of entries in BioLiP: 0
Chemical formula: C4 H8 Cl N O3
InChI: InChI=1S/C4H8ClNO3/c5-1-2(7)3(6)4(8)9/h2-3,7H,1,6H2,(H,8,9)/t2-,3+/m1/s1
InChIKey: CETUIFTXYGHITB-GBXIJSLDSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)C(O)CCl
CACTVS 3.341N[CH]([CH](O)CCl)C(O)=O
CACTVS 3.341N[C@@H]([C@H](O)CCl)C(O)=O
OpenEye OEToolkits 1.5.0C(C(C(C(=O)O)N)O)Cl
OpenEye OEToolkits 1.5.0C([C@H]([C@@H](C(=O)O)N)O)Cl
Name:4-CHLOROTHREONINE
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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