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BioLiP

PDB CCD ID: 4TP
Number of entries in BioLiP: 1
Chemical formula: C4 H10 N O7 P
InChI: InChI=1S/C4H10NO7P/c5-3(4(7)8)2(6)1-12-13(9,10)11/h2-3,6H,1,5H2,(H,7,8)(H2,9,10,11)/t2-,3+/m1/s1
InChIKey: FKHAKIJOKDGEII-GBXIJSLDSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(C(C(=O)O)N)O)OP(=O)(O)O
CACTVS 3.341N[CH]([CH](O)CO[P](O)(O)=O)C(O)=O
CACTVS 3.341N[C@@H]([C@H](O)CO[P](O)(O)=O)C(O)=O
ACDLabs 10.04O=P(O)(O)OCC(O)C(C(=O)O)N
OpenEye OEToolkits 1.5.0C([C@H]([C@@H](C(=O)O)N)O)OP(=O)(O)O
Name:4-HYDROXY-L-THREONINE-5-MONOPHOSPHATE
DrugBank: DB02609
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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