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BioLiP

PDB CCD ID: T8L
Number of entries in BioLiP: 0
Chemical formula: C4 H10 N O5 P S
InChI: InChI=1S/C4H10NO5PS/c1-2(3(5)4(6)7)10-11(8,9)12/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,12)/t2-,3+/m1/s1
InChIKey: LFCYSCKHAHWWSG-GBXIJSLDSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)S
CACTVS 3.385C[C@@H](O[P](O)(S)=O)[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.6CC(C(C(=O)O)N)OP(=O)(O)S
CACTVS 3.385C[CH](O[P](O)(S)=O)[CH](N)C(O)=O
Name:Thio-phosohothreonine
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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